Octyl 2-aminoacetate Hydrochloride

C10H22ClNO2CAS 39540-30-2223.74 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Hazards

Danger
Explosive (GHS01)Flammable (GHS02)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P211, P230, P240, P241, P250, P251, P280, P370+P378, P370+P380, P372, P373, P401, P410+P412, P501

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

Glycine hexyl ester75980-28-8100 % similar 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

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 L-Isoleucine tert-butyl ester hydrochloride69320-89-4 2-(2-(6-Chlorohexyloxy)ethoxy)ethanamine744203-60-9

Elsewhere

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