2-Anilinophenylacetic acid

C₁₄H₁₃NO₂CAS 70172-33-7227.26 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

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 o-Chlorophenylacetic 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 2-((Phenylmethyl)amino)benzoic acid6622-55-5 Benzyl anthranilate82185-41-9

Elsewhere

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