Octyl 2-aminoacetate Hydrochloride

C₁₀H₂₂ClNO₂CAS 39540-30-2223.74 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₂₂ClNO₂
Molar mass: 223.74 g/mol
Exact mass: 223.1339 Da
logP: 2.27Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39540-30-2

SMILES

CCCCCCCCOC(=O)CN.Cl

InChIKey

OORFEZYGSYLFCL-UHFFFAOYSA-N

InChI

InChI=1S/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H

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Names and synonyms

1 names

Glycine N-octyl ester hydrochloride

Work with Octyl 2-aminoacetate 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

n-Hexyl 5-aminolevulinate hydrochloride140898-91-573 % similar Octyl butyrate110-39-461 % similar Dioctyl adipate123-79-561 % similar Decyl decanoate1654-86-061 % similar Dioctyl decanedioate2432-87-361 % similar Hexyl propanoate2445-76-361 % similar Hexyl butyrate2639-63-661 % similar Stearyl stearate2778-96-361 % similar

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

Same formula

H-D-Leu-otbu hcl13081-32-8 L-Leucine tert-butyl ester hydrochloride2748-02-9

Elsewhere

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