(trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride

C₁₀H₂₀ClNO₂CAS 76308-26-4221.72 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₂₀ClNO₂
Molar mass: 221.72 g/mol
Exact mass: 221.1183 Da
logP: 1.88Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: r, rin SMILES atom order

Identifiers

CAS number

76308-26-4

SMILES

CCOC(=O)C[C@H]1CC[C@H](N)CC1.Cl

InChIKey

KBMWRCPPPDEVSJ-JUAUBFSONA-N

InChI

InChI=1/C10H19NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h8-9H,2-7,11H2,1H3;1H/t8-,9-;

Weigh it out

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

Names and synonyms

4 names

Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride (1:1), trans-
Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride, trans-
trans-2-(4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride
Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride

Work with (trans-4-Aminocyclohexyl)acetic acid ethyl ester 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

Ethyl tetrahydropyran-4-ylacetate103260-44-258 % similar Diethyl L-glutamate hydrochloride1118-89-450 % similar (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-450 % similar Glycine ethyl ester hydrochloride623-33-650 % similar 4-Aminobutyric acid ethyl ester hydrochloride6937-16-249 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-247 % similar Ethyl isovalerate108-64-547 % similar 7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-146 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook