5456-63-3 (反-2-氨基环己醇盐酸盐,trans-2-Aminocyclohexanol hydrochloride)

CAS号:
5456-63-3
中文名称:
反-2-氨基环己醇盐酸盐
英文名称:
trans-2-Aminocyclohexanol hydrochloride
安全信息:
分子式:
C6H14ClNO
分子量:
151.634460926056

反-2-氨基环己醇盐酸盐(5456-63-3)名称与标识符

名称

中文别名:
反-2-氨基环己醇盐酸盐;外消旋-反-2-氨基环己醇盐酸盐;2-羟基-1-环乙基胺盐酸盐;反式-2-氨基环己醇盐酸盐;反式-2-羟基-1-环己基胺盐酸盐;
英文别名:
trans-2-Aminocyclohexanol hydrochloride;(1R,2R)-2-Aminocyclohexanol hydrochloride;[1S,2R]-trans-2-Aminocyclohexanol hydrochloride;Cyclohexanol, 2-amino-,hydrochloride, (1R,2R)-rel-;Trans (1R,2R)-2-amino-cyclohexanol hydrochloride;(1R,2R)-2-Aminocyclohexanol HCl;(1R,2R)-2-amino-cyclohexanol hydrochloride;J-500313;(1r,2r)-2-amino cyclohexanol-hcl;NSC-21550;H10809;(1R,2R)-trans-2-Aminocyclohexanol hydrochloride;(1R,2R)-2-aminocyclohexan-1-ol;hydrochloride;(1R,2R)-2-Aminocyclohexanol hydrochloride (1:1);J-520068;AM20070542;trans-2-hydroxy-cyclohexylamine hydrochloride;trans-2-Aminocyclohexanol hydrochloride, 99%;trans-2-Hydroxycyclohexylamine hydrochloride;(1R,2R)-2-Aminocyclohexanol, HCl;CS-W005443;Cyclohexanol, 2-amino-, hydrochloride, (1R-trans)-;(1R, 2R)-2-Aminocyclohexanol hydrochloride;BP-11228;racemic trans-2-amino-cyclohexanol hydrochloride;(1R,2R)-trans-2-Aminocyclohexanol hydrochloride, 95.0-105.0% (AT);trans,2-amino-cyclohexanol hydrochloride;(1R,2R)-2-aminocyclohexanolhydrochloride;SCHEMBL3848192;SCHEMBL56158;NSC21550;(1R, 2R)-2-aminocyclohexanol HCl;(1S,2S)-2-aminocyclohexanolhydrochloride;EN300-298199;MFCD09259962;AKOS015849509;13374-31-7;J-500283;A853642;trans-2-amino-cyclohexanol hydrochloride;Cyclohexanol, 2-amino-, hydrochloride, (1R,2R)-rel-;MFCD00001490;LKKCSUHCVGCGFA-KGZKBUQUSA-N;A847392;rac-(1R,2R)-2-aminocyclohexan-1-ol hydrochloride;(1R,2R)-(-)-2-Aminocyclohexanol HCl;(1R,2R)-rel-2-Aminocyclohexanol hydrochloride;J-500429;(1R,2R)-2-Aminocyclohexanol HCl;GS-4510;cis-2-Aminocyclohexanolhydrochloride;5456-63-3;(1R,2R)-2-aminocyclohexan-1-ol hydrochloride;Cyclohexanol, 2-amino-, hydrochloride, trans- (8CI);NSC 21550;trans-2-aminocyclohexanol hydrochloride (1:1);DB-031201;

标识符

MDL:
MFCD00001490
InChIKey:
LKKCSUHCVGCGFA-KGZKBUQUSA-N
Inchi:
1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m1./s1
SMILES:
Cl.O[C@@H]1CCCC[C@H]1N

反-2-氨基环己醇盐酸盐(5456-63-3)物化性质

实验特性

  • LogP : 1.75090
  • PSA : 46.25000
  • 折射率 : 1.502
  • 沸点 : 201.1°Cat760mmHg
  • 熔点 : 172-175 °C (lit.)
  • 闪点 : 75.4°C
  • 溶解度 : soluble25mg/mL, clear, colorless (1N acetic acid in methanol)
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 敏感性 : Hygroscopic
  • 密度 : 1.037

计算特性

  • 精确分子量 : 151.07600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 151.076
  • 重原子数量 : 9
  • 复杂度 : 74.9
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 46.2A^2

反-2-氨基环己醇盐酸盐(5456-63-3)安全信息

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反-2-氨基环己醇盐酸盐(5456-63-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Improved procedure for the selective N-debenzylation of benzylamines by diisopropyl azodicarboxylate
Kroutil, Jiri; Trnka, Tomas; Cerny, Miloslav, Synthesis, 2004, (3), 446-450
合成路线:1 步
反应条件:
参考文献:
Synthesis and reactions of organic compounds with nitrogen atom. Part III. Action of diborane on some cyclic α,β-unsaturated amines and azides
Chmielowiec, Urszula; Uzarewicz, Irena; Uzarewicz, Arkadiusz, Polish Journal of Chemistry, 1990, 64(7-12), 613-18

反-2-氨基环己醇盐酸盐(5456-63-3)上下游

反-2-氨基环己醇盐酸盐(5456-63-3)相关文献

反-2-氨基环己醇盐酸盐(5456-63-3) MSDS

基础信息

Name:Trans-2-Aminocyclohexanol Hydrochloride 99% Material Safety Data Sheet
Synonym:None known
CAS:5456-63-3
Section 1 - Chemical Product ? MSDS Name:Trans-2-Aminocyclohexanol Hydrochloride 99% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
5456-63-3Trans-2-Aminocyclohexanol Hydrochlorid99unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).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 agent most appropriate to extinguish fire. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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. 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. Store protected from moisture.

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# 5456-63-3: 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: Solid
Color: light gray
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172.00 - 175.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H13NO.HCl
Molecular Weight: 151.64

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5456-63-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trans-2-Aminocyclohexanol 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5456-63-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5456-63-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5456-63-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A