7-Aminoheptanoic acid ethyl ester hydrochloride

C₉H₂₀ClNO₂CAS 29840-65-1209.71 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₂₀ClNO₂
Molar mass: 209.71 g/mol
Exact mass: 209.1183 Da
logP: 1.88Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

29840-65-1

SMILES

CCOC(=O)CCCCCCN.Cl

InChIKey

UJSRNPWHNTUQEH-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO2.ClH/c1-2-12-9(11)7-5-3-4-6-8-10;/h2-8,10H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Heptanoic acid, 7-amino-, ethyl ester, hydrochloride (1:1)
Heptanoic acid, 7-amino-, ethyl ester, hydrochloride
Ethyl 7-aminoheptanoate hydrochloride

Work with 7-Aminoheptanoic 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

4-Aminobutyric acid ethyl ester hydrochloride6937-16-287 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-274 % similar Diethyl sebacate110-40-769 % similar Diethyl pimelate2050-20-669 % similar Diethyl suberate2050-23-969 % similar Diethyl azelate624-17-969 % similar Diethyl glutarate818-38-262 % similar Ethyl heptanoate106-30-961 % similar

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

Same formula

L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-5 tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-6 Butyrylcholine chloride2963-78-2 N-Methyl-N-pentyl-β-alanine hydrochloride625120-81-2

Elsewhere

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