chempirical

Glycine benzyl ester monohydrochloride

C9H12ClNO2CAS 2462-31-9201.65 g/mol

Open in Covalent MOL file
HClH2NOO
EsterPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
Melting point
139–140 °C
logP
1.11Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
2462-31-9
SMILES
Cl.NCC(=O)OCc1ccccc1
InChIKey
VLQHNAMRWPQWNK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H

Weigh it out

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

Names and synonyms

7 names
  • Glycine, phenylmethyl ester, hydrochloride (1:1)
  • Glycine, benzyl ester, hydrochloride
  • Glycine, phenylmethyl ester, hydrochloride
  • Benzyl glycinate hydrochloride
  • Benzyl 2-aminoacetate hydrochloride
  • Aminoacetic acid benzyl ester hydrochloride
  • 2-(Benzyloxy)-2-oxoethanaminium chloride

Work with Glycine benzyl ester monohydrochloride

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

Dibenzyl succinate103-43-565 % similar Dibenzyl malonate15014-25-265 % similar Phenylmethyl 2-chloroacetate140-18-164 % similar Benzyl phenylacetate102-16-963 % similar Benzyl propionate122-63-459 % similar Benzyl bromoacetate5437-45-659 % similar Dibenzyl L-glutamate hydrochloride4561-10-857 % similar Benzyl butyrate103-37-756 % similar

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

Same formula

3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-3

Elsewhere

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