N-Phenylglycine

C8H9NO2CAS 103-01-5151.16 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
127.5 °C
logP
1.18Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103-01-5
SMILES
O=C(O)CNc1ccccc1
InChIKey
NPKSPKHJBVJUKB-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)

Weigh it out

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

Names and synonyms

9 names
  • Glycine, N-phenyl-
  • Anilinoacetic acid
  • (Phenylamino)acetic acid
  • Acetic acid, (phenylamino)-
  • N-(Phenylamino)acetic acid
  • NSC 83567
  • NPG
  • 2-(Phenylamino)acetic acid
  • 2-Anilinoacetic acid

Work with N-Phenylglycine

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.

Potassium N-phenylglycinate19525-59-8Salt

Similar compounds

Glycin122-87-267 % similar N-(4-Cyanophenyl)glycine42288-26-664 % similar N-(Phenylmethyl)glycine17136-36-656 % similar Trt-gly-oh5893-05-055 % similar N-(2-Carboxyphenyl)glycine612-42-054 % similar N-Benzylglycine hydrochloride7689-50-151 % similar Phenylacetic acid103-82-250 % similar 2-Anilinophenylacetic acid70172-33-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-4

Elsewhere

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