3,5-二甲基金刚胺

3,5-二甲基金刚胺 基本信息
CAS号 19982-08-2 分子式 C12H22ClN
分子量 215.76300 精确质量  215.14400
PSA  26.02000 LogP  4.19640

基本信息 展开↓

CAS号:
19982-08-2
分子式:
C12H22ClN
分子量:
215.76300
中文名称:
3,5-二甲基金刚胺
英文名称:
memantine
中文别名:
3,5-二甲基金刚胺;
二甲金刚烷胺
英文别名:
memantine;
3,5-Dimethyladamantan-1-amine;
3,5-Dimethyl-1-aminoadamantane;
1,3-Dimethylaminoadamantane;
MEMENTINE HYDROCHHLORIDE;
AURORA KA-7643;
1,3-dimethyl-5-aminoadamantane;
Memantine;
1-amino-3,5-dimethyl-adamantane;
Acid salts MeMantine
精确分子量/精确质量:
215.14400
极性分子表面积/PSA:
26.02000
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。
InChI:
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-;

生产制备方法及用途展开↓

制备方法


是一种新型的抗老年痴呆药,可用于中度到重度老年性痴呆症的治疗

用途简介


物化性质展开↓

外观与性状:
白色粉末
密度:
1.046
熔点:
153ºC
沸点:
239.8ºC at 760 mmHg
闪点:
92.3ºC
折射率:
1.4941 (20ºC)
蒸汽压:
0.00667mmHg at 25°C
存储条件/存储方法:

在密封的贮藏器内,并放置阴凉,干燥的地方保存

稳定性相关:

常温常压下稳定,避免接触强氧化剂

其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):1.046

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,5.2kPa): 未确定

7. 折射率: 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(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 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:未确定

安全信息展开↓

海关代码:
2921300090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

  • 19982-07-1

    1-乙酰氨基-3,5-二甲基金刚烷

  • ~90%

  • 19982-08-2

    3,5-二甲基金刚胺

  • 947238-46-2

    2-chloro-N-(3,5-dimethyl-adamantan-1-yl)-acetamide

  • ~73%

  • 19982-08-2

    3,5-二甲基金刚胺

  • 1204184-74-6

    2-(3,5-dimethyladamantan-1-yl)isoindole-1,3-dione

  • ~42%

  • 19982-08-2

    3,5-二甲基金刚胺

MSDS 展开↓

Name: 1 3-Dimethyl-5-aminoadamantane hydrochloride Material Safety Data Sheet
Synonym: 1-Amino-3,5-dimethyladamantane hydrochloride; Memantine hydrochloride; 3,5-Dimethyl-1-adamantanamine hydrochloride; DMAA hydrochloride; Tricyclo(3.3.1.1(sup 3,7))decan-1-amine hydrochloride
CAS: 19982-08-2
Section 1 - Chemical Product   MSDS Name:1 3-Dimethyl-5-aminoadamantane hydrochloride Material Safety Data Sheet
Synonym:1-Amino-3,5-dimethyladamantane hydrochloride; Memantine hydrochloride; 3,5-Dimethyl-1-adamantanamine hydrochloride; DMAA hydrochloride; Tricyclo(3.3.1.1(sup 3,7))decan-1-amine hydrochloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19982-08-2 1,3-Dimethyl-5-aminoadamantane hydroch 99 255-219-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause central nervous system effects and/or neurological effects.
Inhalation:
May cause respiratory tract irritation.
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19982-08-2: CAS# 41100-52-1: 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 minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 258 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H21NHCl
Molecular Weight: 215.77

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19982-08-2: YD1958750 CAS# 41100-52-1 unlisted.
LD50/LC50:
Not available.
Not available.
For CAS 19982-08-2, the free base: TDLo Intramuscular (rat): 14.2 mg/kg anticonvulsant. (RTECS) Carcinogenicity:
1,3-Dimethyl-5-aminoadamantane (the free base) - Not listed by ACGIH, IARC, or NTP.
1,3-Dimethyl-5-aminoadamantane hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 19982-08-2: No information available.
CAS# 41100-52-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19982-08-2 is not listed on Canada's Ingredient Disclosure List.
CAS# 41100-52-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19982-08-2 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 41100-52-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921300090

概述:
2921300090 其他环(烷,烯,萜烯)单胺或多胺(包括其衍生物及它们的盐). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921300090 other cyclanic, cyclenic or cyclotherpenic mono- or polyamines, and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1、   氢键供体数量:2

2、   氢键受体数量:1

3、   可旋转化学键数量:0

4、   拓扑分子极性表面积(TPSA):26

5、   重原子数量: 14

6、   表面电荷:0

7、   复杂度:240

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:2

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:2

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  • 19982-07-1

    1-乙酰氨基-3,5-二甲基金刚烷

  • 1204184-74-6

    2-(3,5-dimethyladamantan-1-yl)isoindole-1,3-dione

  • 41100-52-1

    3,5-二甲基金刚胺盐酸盐

  • 947238-46-2

    2-chloro-N-(3,5-dimethyl-adamantan-1-yl)-acetamide

  • 941-37-7

    1-溴-3,5-二甲基金刚烷

下游产品

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  • 41100-52-1

    3,5-二甲基金刚胺盐酸盐

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