95630-76-5 (乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐,Bicyclo[2.2.1]heptane-2-carboxylicacid, 3-amino-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,4S)-rel-)

CAS号:
95630-76-5
中文名称:
乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐
英文名称:
Bicyclo[2.2.1]heptane-2-carboxylicacid, 3-amino-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,4S)-rel-
分子式:
C10H18ClNO2
分子量:
219.70842218399

乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐(95630-76-5)名称与标识符

名称

中文别名:
乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐;
英文别名:
Bicyclo[2.2.1]heptane-2-carboxylicacid, 3-amino-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,4S)-rel-;Bicyclo[2.2.1]heptane-2-carboxylicacid, 3-amino-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,...;DIENDO-3-AMINO-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE;Ethyl 3-endo-aminobicyclo[2,2,1]heptane-2-endo-carboxylate hydrochloride;ethyl endo-3-aminobicyclo<2.2.1>heptane-2-endo-carboxylate hydrochloride;ethyl endo-3-aminobicyclo<2.2.1>heptane-endo-2-carboxylate hydrochloride;95630-75-4;ETHYL3-EXO-AMINOBICYCLO[2.2.1]HEPTANE-2-EXO-CARBOXYLATEHYDROCHLORIDE;DIENDO-3-AMINO-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLICACIDETHYLESTERHYDROCHLORIDE;GUZMBZLNPJWBTA-UHFFFAOYSA-N;AB03903;ethyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate hydrochloride;SCHEMBL4278461;95630-76-5;Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-amino-, ethyl ester,hydrochloride, (exo,exo)-;FT-0774477;FT-0770924;CS-0458300;ethyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate;hydrochloride;3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride;

标识符

MDL:
MFCD00144271
InChIKey:
GUZMBZLNPJWBTA-UHFFFAOYSA-N
Inchi:
1S/C10H17NO2.ClH/c1-2-13-10(12)8-6-3-4-7(5-6)9(8)11;/h6-9H,2-5,11H2,1H3;1H
SMILES:
Cl.O(CC)C(C1C(C2CCC1C2)N)=O

乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐(95630-76-5)物化性质

实验特性

  • LogP : 2.42520
  • PSA : 52.32000
  • 沸点 : 254.148°C at 760 mmHg
  • 熔点 : 187-188 °C
  • 闪点 : 117.609°C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 219.10300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 184.133754
  • 重原子数量 : 14
  • 复杂度 : 217
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.4
  • 表面电荷 : 1
  • 拓扑分子极性表面积 : 53.9

乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐(95630-76-5)安全信息

乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐(95630-76-5)海关数据

海关编码:
29224985

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乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐(95630-76-5) MSDS

基础信息

Name:Ethyl 3-endo-aminobicyclo [2 2 1] heptane-2-endo-carboxylate Material Safety Data Sheet
Synonym:None listed
CAS:95630-76-5
Section 1 - Chemical Product ? MSDS Name:Ethyl 3-endo-aminobicyclo [2 2 1] heptane-2-endo-carboxylate Material Safety Data Sheet
Synonym:None listed

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
95630-76-5Ethyl 3-endo-aminobicyclo[2,2,1]heptan98unlisted
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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.
Provide ventilation.

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. 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# 95630-76-5: 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 - grey
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 187 - 188 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C10H17NO2.HCl
Molecular Weight: 219.71

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 95630-76-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-endo-aminobicyclo[2,2,1]heptane-2-endo-carboxylate hydrochloride - 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
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# 95630-76-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95630-76-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95630-76-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A