3-Aminocyclohexanecarboxylic acid

C₇H₁₃NO₂CAS 25912-50-9143.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₁₃NO₂
Molar mass: 143.19 g/mol
Exact mass: 143.0946 Da
logP: 0.59Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed92.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage92.9% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25912-50-9

SMILES

C1CC(CC(C1)N)C(=O)O

InChIKey

CKTUXQBZPWBFDX-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Aminocyclohexanecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

rac-(1R,3S)-3-Aminocyclohexane-1-carboxylic acid81131-40-0Defined stereoisomer

Similar compounds

3-Aminocyclopentane-1-carboxylic acid71830-07-478 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-578 % similar 3-Aminocyclopentanecarboxylic acid89614-96-078 % similar cis-1,3-Cyclohexanedicarboxylic acid2305-31-969 % similar 1,3-Cyclohexanedicarboxylic acid3971-31-169 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-167 % similar Cyclobutanecarboxylic acid3721-95-762 % similar cis-4-Aminocyclohexanecarboxylic acid3685-23-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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