cis-4-Aminocyclohexanecarboxylic acid

C₇H₁₃NO₂CAS 3685-23-2143.19 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3685-23-2

SMILES

C1CC(CCC1C(=O)O)N

InChIKey

DRNGLYHKYPNTEA-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)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.

Names and synonyms

1 names

4-Aminocyclohexanecarboxylic acid

Work with cis-4-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.

trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4Salt trans-4-Aminocyclohexanecarboxylic acid3685-25-4 4-Aminocyclohexanecarboxylic acid1776-53-0

Similar compounds

(1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-476 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-576 % similar 3-Aminocyclopentanecarboxylic acid89614-96-076 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-771 % similar Cyclopropanecarboxylic acid1759-53-171 % similar 1,4-Cyclohexanedicarboxylic acid619-81-871 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-971 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-164 % 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 3,3-Diethoxypropionitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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