Basic information
- CAS
24716-92-5- Standard SMILES
N[C@H]1CCCC[C@@H]1C(=O)O- InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- (1S,2S)-2-Aminocyclohexanecarboxylic Acid
- IUPAC
- trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid
- English name
- (1S,2S)-2-AMINOCYCLOHEXANECARBOXYLIC ACID
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
(1S,2S)-2-Aminocyclohexanecarboxylic Acid24716-93-6(1S,2S)-2-aminocyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 2-amino-, (1S,2S)-MFCD01318270(1S,2S)-2-azaniumylcyclohexane-1-carboxylate(1S,2S)-2-AminocyclohexanecarboxylicAcidSCHEMBL48334DTXSID90427828AKOS006340938AKOS015854132AS-30258
Show more names
(1S,2S)-2-ammoniocyclohexanecarboxylate(1S,2S)-2-Aminocyclohexanecarboxylic Acid >Cyclohexanecarboxylic acid, 2-amino-, (1S,2S)-trans-(1S,2S)-2-Aminocyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-aMino-, (1S,2S)- (9CI)(1S,2S)-2-aminocyclohexanecarboxylic acid hydrochloride
SY056648(1S,2S)-2-azaniumylcyclohexanecarboxylate(1S,2S)-2-amino-cyclohexanecarboxylic acidA1689CS-0139609EN300-1168694rel-(1S,2S)-2-aminocyclohexane-1-carboxylic acid(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
Database identifiers
- CAS
24716-92-5、24716-93-6
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 0 °C · 0°C
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- refractive index
- 76.5 ° · 76.5 ° (C=1, H2O)
- Flash point
- 0 °C · 0°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.77 · 3.77±0.28(Predicted)
- Water Solubility
- Soluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2922390090 · 2922390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922390090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses(1S,2S)-2-Aminocyclohexanecarboxylic acid is used in the preparation of enantiomerically pure beta-amino acids. It is also involved in the synthesis of mono and dihydroxylated derivatives of 2-aminocyclohexanecarboxylic acid by Diels-Alder adduct of ethyl(E)-3-nitroacrylate and furan.
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Related reactions
5 records
Compound notes
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