chempirical

2-Anilinophenylacetic acid

C14H13NO2CAS 70172-33-7227.26 g/mol

Open in Covalent MOL file
NHOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C14H13NO2
Molar mass
227.26 g/mol
Exact mass
227.0946 Da
logP
3.06Crippen 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
70172-33-7
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2CC(=O)O
InChIKey
NJFCAWNKWPIBAG-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO2/c16-14(17)10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,15H,10H2,(H,16,17)

Weigh it out

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

Work with 2-Anilinophenylacetic acid

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

Diclofenac15307-86-564 % similar 1,2-Benzenediacetic acid7500-53-061 % similar Diclofenac diethylamine78213-16-854 % similar 2-Bromophenylacetic acid18698-97-053 % similar (2-Hydroxyphenyl)acetic acid614-75-553 % similar 2-Iodophenylacetic acid18698-96-951 % similar (2-Chlorophenyl)acetic acid2444-36-251 % similar 2-Aminophenylacetic acid3342-78-751 % similar

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

Same formula

2,2-Diphenylglycine3060-50-2 (±)-Benzoin oxime441-38-3 N-Benzylanthranilic acid6622-55-5 Benzyl anthranilate82185-41-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook