N-Benzylglycine hydrochloride

C₉H₁₂ClNO₂CAS 7689-50-1201.65 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.4% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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