Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride

C₉H₁₈ClNO₂CAS 29275-88-5207.70 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₈ClNO₂
Molar mass: 207.70 g/mol
Exact mass: 207.1026 Da
logP: 1.35Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

29275-88-5

SMILES

COC(=O)C1CCC(CC1)CN.Cl

InChIKey

PZPSRTWFJCGJLP-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h7-8H,2-6,10H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

trans-Methyl 4-aminomethyl-cyclohexanecarboxylate hcl

Work with Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate 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

Similar compounds

Methyl cyclopropanecarboxylate2868-37-362 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-262 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-062 % similar (1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-44-457 % similar Methyl isonipecotate hydrochloride7462-86-457 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-153 % similar Methyl cyclopentanecarboxylate4630-80-253 % similar Methyl cyclohexanecarboxylate4630-82-452 % similar

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

Same formula

H-Chg-ome hcl14328-63-3 D-Proline tert-butyl ester hydrochloride184719-80-0 Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-1 [2-(Methacryloyloxy)ethyl]trimethylammonium chloride5039-78-1 (S)-Proline tert-butyl ester hydrochloride5497-76-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook