CAS 16636-51-4 rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid (HCID 7005079)

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Basic information

CAS: 16636-51-4
Standard SMILES: N[C@@H]1CCC[C@H](C(=O)O)C1
InChIKey: CKTUXQBZPWBFDX-RITPCOANSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol

Names & identifiers

Preferred name: rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid
IUPAC: cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid
English name: (1R,3S)-3-Aminocyclohexanecarboxylic Acid
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acidRefChem:873056819-557-381131-40-0(1S,3R)-3-Aminocyclohexanecarboxylic Acid(1S,3R)-3-aminocyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 3-amino-, (1S-cis)- (9CI)MFCD09753648ACHCcis-3-aminocyclohexane carboxylic acidcis-3-amino-cyclohexanecarboxlic acidcis-3-amino-cyclohexanecarboxylic acid

Show more names

(1R,3S)-3-aminocyclohexane-1-carboxylic acidCIS-3-AMINOCYCLOHEXANECARBOXYLICACID14cis-3-aminocyclohexanecarboxylic acidcis-3-Aminocyclohexane-1-carboxylicacid(1R,3S)-3-AMINOCYCLOHEXANECARBOXYLIC ACIDcis-3-Aminocyclohexanecarboxylic Acid >cis-3-Aminocyclohexanecarboxylic Acid(1R,3S)-rel-3-Aminocyclohexanecarboxylic acidrel-(1R,3S)-3-aminocyclohexane-1-carboxylic acid

CS-0143878EN300-153717(1S,3R)-3-AminocyclohexanecarboxylicAcidSCHEMBL1527350AKOS016844356(1S,3R)-Aminocyclohexanecarboxylic AcidAS-49896SY031177

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 278 °C · 278 °C
Boiling point: 280 · 280.0±33.0 °C(Predicted)
Density: 1.133 · 1.133±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Water Solubility: Soluble in water
form: powder to crystal
pka: 3.99 · 3.99±0.10(Predicted)
color: White to Almost white
CAS DataBase Reference: 16636 · 16636-51-4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2922.49 · 2922.49.8000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2922.49.8000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses(1R,3S)-3-Aminocyclohexanecarboxylic Acid is a kind of organic reagent, the structure of cyclohexane on 1 and 3 H atom replaced by carboxyl and amino. It is prone to esterification reactions and can be used as a synthetic intermediate to participate in the preparation of various compounds.