chempirical

trans-4-Amino-cyclohexane carboxylic acid hydrochloride

C7H14ClNO2CAS 27960-59-4179.64 g/mol

Open in Covalent MOL file
OHONH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H14ClNO2
Molar mass
179.64 g/mol
Exact mass
179.0713 Da
logP
1.01Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
27960-59-4
SMILES
C1CC(CCC1C(=O)O)N.Cl
InChIKey
HXZSYUOXTKQNNY-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

1 names
  • 4-Aminocyclohexane-1-carboxylic acid hydrochloride

Work with trans-4-Amino-cyclohexane carboxylic acid hydrochloride

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.

cis-4-Aminocyclohexanecarboxylic acid3685-23-2Free base trans-4-Aminocyclohexanecarboxylic acid3685-25-4Free base 4-Aminocyclohexanecarboxylic acid1776-53-0Free base

Similar compounds

(1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-468 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-568 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar Cyclopropanecarboxylic acid1759-53-163 % similar 1,4-Cyclohexanedicarboxylic acid619-81-863 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-963 % similar 4-Piperidinecarboxylic acid, hydrochloride (1:1)5984-56-557 % similar 3-Aminocyclohexanecarboxylic acid25912-50-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

H-D-Pro-oet hcl131477-20-8 (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 Cadabine hydrochloride4136-37-2 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-6 1-Methylisonipecotic acid hydrochloride71985-80-3

Elsewhere

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