chempirical

N-Benzylglycine hydrochloride

C9H12ClNO2CAS 7689-50-1201.65 g/mol

Open in Covalent MOL file
HNOOHHCl
Carboxylic acidSecondary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
logP
1.28Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

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
7689-50-1
SMILES
C1=CC=C(C=C1)CNCC(=O)O.Cl
InChIKey
BUZJPENZWLUHJD-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H

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Names and synonyms

1 names
  • Benzylaminoacetic acid hydrochloride

Work with N-Benzylglycine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-(Phenylmethyl)glycine17136-36-6Free base

Similar compounds

Phenylacetic acid103-82-252 % similar N-Phenylglycine103-01-551 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-250 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-450 % similar Phenylpropanoic acid501-52-050 % similar N,N′-Dibenzylethylenediamine diacetate122-75-849 % similar 4-Phenylbutyric acid1821-12-149 % similar Trt-gly-oh5893-05-047 % similar

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

Same formula

H-Phg-ome hcl15028-39-4 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7

Elsewhere

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