cas号： 6151-30-0 ，名称：米帕林盐酸盐的性质/作用/用途-化学加百科

米帕林盐酸盐基本信息
CAS号	6151-30-0	分子式	C23H36Cl3N3O3
分子量	508.90900	精确质量	507.18200
PSA	55.85000	LogP	7.52080

基本信息展开↓

CAS号：: 6151-30-0
3D弹球模型：: 立即前往扯扯看
分子式：: C23H36Cl3N3O3
分子量：: 508.90900
中文名称：: 米帕林盐酸盐
英文名称：: Mepacrine hydrochloride
中文别名：: 米帕林盐酸盐;
N4-(6-氯-2-甲氧基-9-吖啶基)-N1,N1-二乙基-1,4-戊二胺二盐酸盐二水合物;
奎纳克林盐酸盐
英文别名：: Mepacrine hydrochloride;
hloride2h2-o;
mepacrinehydrochloridedihydrate;
QUINACRINE,ATABRINE MEPACNINE;
QuinacrineHCl;
ochloride,dihydrate;
mepacrinehcl;
atabrinehydrochloridedihydrate;
Quinacrinehydrochlorid;
AtabrineMepacnine
精确分子量/精确质量：: 507.18200
极性分子表面积/PSA：: 55.85000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：: MFCD00150069
InChI：: The Key: SHUFTPHVWKTNFH-UHFFFAOYSA-N

物化性质展开↓

熔点：: 247 °C
沸点：: 557.1ºC at 760 mmHg
水溶解性：: 2.8 g/100 mL
存储条件/存储方法：: 密封储存，储存于阴凉、干燥的库房。
稳定性相关：: 常温常压下稳定，对光照敏感。吸收湿空气和空气中的水分。

避免与不相容材料，光照，湿空气，水接触。

与湿空气，水，强酸反应。
其它信息：: 1.      性状：黄色粉末

2.      密度（g/mL,25℃）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：247

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC，39mmHg）：未确定

7.      折射率(n20/D)：未确定

8.      闪点（ºF）：未确定

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（mmHg,20ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：溶于水

安全信息展开↓

危险类别码：: R22;R36/37/38
安全说明：: S26-S37/39
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：: Xn: Harmful;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AR7876000

CHEMICAL NAME :: Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2- methoxy-, dihydrochloride, dihydrate

CAS REGISTRY NUMBER :: 6151-30-0

LAST UPDATED :: 199112

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C23-H30-Cl-N3-O.2Cl-H.2H2-O

MOLECULAR WEIGHT :: 507.96

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 37 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 44,225,1978 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intratesticular

DOSE :: 4 mg/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 6,329,1972

毒理学数据：

1、急性毒性：小鼠经静脉LDLo：37mg/kg；

2、生殖毒性

大鼠经睾丸TDLo：4mg/kg；

生态数据：

对水是极其危害的，即使是小量，对水体中的鱼和浮游生物是有毒害的。

若无政府许可，勿将材料排入周围环境。

Section 1. Chemical Product and Company Identification
    Quinacrine hydrochloride dihydrate        Catalog
    Common Name/
    Number(s).
    Trade Name
    CAS#        6151-30-0
    Manufacturer
    RTECS        AR7876000
    SPECTRUM CHEMICAL MFG. CORP.
    TSCA        TSCA 8(b) inventory:
    Quinacrine hydrochloride
    dihydrate
    Commercial Name(s)        Not available.
    CI#        Not available.
    Synonym        6-Chloro-9=[[44-(diethylamino-1-methylbutyl]amino]-2-methoxyacridine
    IN CASE OF EMERGENCY
    hydrochloride
    Chemical Name        Not available.
    Not available.        CALL (310) 516-8000
    Chemical Family
    Chemical Formula        C23H30ClN3O.2HCl.2H2O
    SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)
    Name        CAS #        % by Weight
    1) Quinacrine hydrochloride dihydrate        6151-30-0        100
    Toxicological Data        Quinacrine hydrochloride dihydrate:
    on Ingredients        ORAL (LD50):        Acute: 660 mg/kg [Rat]. 433 mg/kg [Rabbit].

Section 3. Hazards Identification
    Potential Acute Health Effects Very hazardous in case of ingestion. Hazardous in case of skin contact (irritant), of eye contact (irritant), of
    inhalation. Slightly hazardous in case of skin contact (permeator).
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.
    Effects        MUTAGENIC EFFECTS: Not available.
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: PROVEN
    The substance is toxic to blood, the nervous system, the reproductive system, liver, heart.
    Repeated or prolonged exposure to the substance can produce target organs damage.
    Quinacrine hydrochloride dihydrate

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes,
    keeping eyelids open. Cold water may be used. Do not use an eye ointment. Seek medical attention.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
    with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
    Cold water may be used. Cover the irritated skin with an emollient. If irritation persists, seek medical attention.
    Wash contaminated clothing before reusing.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate
    medical attention.
    Inhalation        Allow the victim to rest in a well ventilated area. Seek immediate medical attention.
    Serious Inhalation        Not available.
    Ingestion        Do not induce vomiting. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
    indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Loosen
    tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Seek immediate medical attention.
    Serious Ingestion        Not available.

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.
    Flammable Limits        Not available.
    Products of Combustion        These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), halogenated compounds.
    Fire Hazards in Presence of Not available.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    Special Remarks on        Not available.
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
    on the contaminated surface and allow to evacuate through the sanitary system.
    Quinacrine hydrochloride dihydrate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
    residue under a fume hood. Ground all equipment containing material. Do not ingest. Do not breathe dust.
    Wear suitable protective clothing In case of insufficient ventilation, wear suitable respiratory equipment If
    ingested, seek medical advice immediately and show the container or the label. Avoid contact with skin and eyes
    Storage        Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
    closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
    and away from strong oxidizing agents.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
    BEFORE handling this product.
    Exposure Limits        Not available.

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid.        Odor        Not available.
    Taste        Not available.
    508.91 g/mole
    Molecular Weight
    Color        Yellow.
    pH (1% soln/water)        Not available.
    Boiling Point        Not available.
    Melting Point        Decomposes.
    Critical Temperature        Not available.
    Specific Gravity        Not available.
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.
    Volatility        Not available.
    Odor Threshold        Not available.
    Water/Oil Dist. Coeff.        Not available.
    Not available.
    Ionicity (in Water)
    Dispersion Properties        See solubility in water.
    Soluble in cold water.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.
    Not available.
    Conditions of Instability
    Incompatibility with various Not available.
    substances
    Quinacrine hydrochloride dihydrate
    Corrosivity        Non-corrosive in presence of glass.
    Special Remarks on        Not available.
    Reactivity
    Special Remarks on        Not available.
    Corrosivity
    Polymerization        No.

Section 11. Toxicological Information
    Routes of Entry        Eye contact. Inhalation. Ingestion.
    Toxicity to Animals        Acute oral toxicity (LD50): 433 mg/kg [Rabbit].
    Chronic Effects on Humans        DEVELOPMENTAL TOXICITY: PROVEN
    The substance is toxic to blood, the nervous system, the reproductive system, liver, heart.
    Other Toxic Effects on        Very hazardous in case of ingestion.
    Humans        Hazardous in case of skin contact (irritant), of inhalation.
    Slightly hazardous in case of skin contact (permeator).
    Special Remarks on        Not available.
    Toxicity to Animals
    Special Remarks on        Not available.
    Chronic Effects on Humans
    Special Remarks on other        Not available.
    Toxic Effects on Humans

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    Toxicity of the Products        The products of degradation are more toxic.
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).
    Not applicable.
    Identification
    Special Provisions for        Not applicable.
    Transport
    Quinacrine hydrochloride dihydrate
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Quinacrine hydrochloride dihydrate
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
    CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
    Other Classifications        WHMIS (Canada)
    CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    DSCL (EEC)        R36/38- Irritating to eyes and skin.
    R48/22- Harmful: danger of serious
    damage to health by prolonged
    exposure if swallowed.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Quinacrine hydrochloride dihydrate
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent. Wear appropriate respirator
    when ventilation is inadequate.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据

1、疏水参数计算参考值（XlogP）：6.2

2、氢键供体数量：3

3、氢键受体数量：2

4、可旋转化学键数量：9

5、互变异构体数量：2

6、拓扑分子极性表面积（TPSA）：39.8

7、重原子数量：28

8、表面电荷：2

9、复杂度：461

10、同位素原子数量：0

11、确定原子立构中心数量：1

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：0

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

米帕林盐酸盐

基本信息 展开↓