L-精氨酸-7-氨基-4-甲基香豆素二盐酸盐

L-精氨酸-7-氨基-4-甲基香豆素二盐酸盐 基本信息
CAS号 113712-08-6 分子式 C16H23Cl2N5O3
分子量 404.29200 精确质量 　403.11800
PSA 　147.23000 LogP 　4.19870
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目录
基本信息 物化性质 安全信息 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
113712-08-6
分子式：
C16H23Cl2N5O3
分子量：
404.29200
中文名称：
L-精氨酸-7-氨基-4-甲基香豆素二盐酸盐
英文名称：
L-ARGININE 7-AMIDO-4-METHYLCOUMARIN DIHYDROCHLORIDE
中文别名：
L-精氨酸-7-氨基-4-甲基香豆素二盐酸盐
英文别名：
L-ARGININE 7-AMIDO-4-METHYLCOUMARIN DIHYDROCHLORIDE;
R-AMC,2HCL;
CATHEPSIN H SUBSTRATE II,FLUOROGENIC;
ARGININE-AMC 2 HCL;
H-L-Arg-AMC*2HCl;
H-ARG-AMC HCL;
H-ARG-AMC 2 HCI;
H-ARG-AMC 2 HCL;
L-Arginine7-amido-4-methylcoumarin2HCl
精确分子量/精确质量：
403.11800
极性分子表面积/PSA：
147.23000
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。

物化性质展开↓

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。冷藏温度为-20ºC。

稳定性相关：

常温常压下稳定，避免与不相容材料，光照接触。与强氧化剂，强酸，强碱反应。

其它信息：

1.      性状：白色或浅棕色结晶性粉末

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）：未确定

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC，28mmHg）：未确定

7.      折射率(n20/D)：未确定

8.      闪点（ºC）：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：不溶于水

安全信息展开↓

安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

MSDS 展开↓

Name: L-Arginine 7-Amido-4-Methylcoumarin Dihydrochloride Material Safety Data Sheet
Synonym: None Known
CAS: 113712-08-6
Section 1 - Chemical Product   MSDS Name:L-Arginine 7-Amido-4-Methylcoumarin Dihydrochloride Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
113712-08-6 L-Arginine 7-Amido-4-Methylcoumarin Di 98.0 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 113712-08-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white to light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density:
Molecular Formula: C16H21N5O3.2HCl
Molecular Weight: 404.29
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Light, dust generation.
Incompatibilities with Other Materials:
Strong acids, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 113712-08-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-Arginine 7-Amido-4-Methylcoumarin Dihydrochloride - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 113712-08-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 113712-08-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 113712-08-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：无可用的

2、摩尔体积（cm3/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10-24cm3）：无可用的

7、单一同位素质量：403.117795 Da

8、标称质量：403 Da

9、平均质量：404.2915 Da

计算化学数据

1、   疏水参数计算参考值（XlogP）：-0.3

2、   氢键供体数量：5

3、   氢键受体数量：5

4、   可旋转化学键数量：6

5、   互变异构体数量：4

6、   拓扑分子极性表面积（TPSA）：149

7、   重原子数量：24

8、   表面电荷：2

9、   复杂度：542

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

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