chempirical

Phenylglycine

C8H9NO2CAS 2835-06-5151.16 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
290 °C
logP
0.77Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2835-06-5
SMILES
NC(C(=O)O)c1ccccc1
InChIKey
ZGUNAGUHMKGQNY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

20 names · show all
  • Benzeneacetic acid, α-amino-
  • Glycine, 2-phenyl-, DL-
  • Benzeneacetic acid, α-amino-, (±)-
  • α-Aminobenzeneacetic acid
  • DL-α-Aminophenylacetic acid
  • DL-2-Phenylglycine
  • DL-α-Phenylglycine
  • (±)-α-Phenylglycine
  • (±)-Phenylglycine
  • (RS)-2-Phenylglycine
  • DL-Phenylglycine
  • α-Aminophenylacetic acid
  • α-Phenylglycine
  • 2-Phenylglycine
  • 2-Amino-2-phenylacetic acid
  • C-Phenylglycine
  • 2-Amino-2-phenylethanoic acid
  • NSC 24619
  • NSC 32070
  • NSC 7928

Reactions

Work with 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

Similar compounds

L-Phenylglycine2935-35-5100 % similar Dl-phenylglycine69-91-0100 % similar (-)-Phenylglycine875-74-1100 % similar D-P-Hydroxyphenylglycine22818-40-269 % similar Oxfenicine32462-30-969 % similar Dl-P-hydroxyphenylglycine938-97-669 % similar 2-Amino-2-(4-methylphenyl)acetic acid13227-01-565 % similar α-Amino-4-chlorobenzeneacetic acid6212-33-565 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 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

Elsewhere

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