2-((Phenylmethyl)amino)benzoic acid

C₁₄H₁₃NO₂CAS 6622-55-5227.26 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
Melting point: 175 °C
logP: 3.00Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

6622-55-5

SMILES

O=C(O)c1ccccc1NCc1ccccc1

InChIKey

JGQKORRBYIBYOF-UHFFFAOYSA-N

InChI

InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)

Weigh it out

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

Names and synonyms

10 names

N-Benzylanthranilic acid
Benzoic acid, 2-[(phenylmethyl)amino]-
Anthranilic acid, N-benzyl-
2-[(Phenylmethyl)amino]benzoic acid
N-Benzyl-o-aminobenzoic acid
2-(Phenylmethylamino)benzoic acid
2-(N-Benzylamino)benzoic acid
NSC 54454
NSC 54640
2-(Benzylamino)benzoic acid

Work with 2-((Phenylmethyl)amino)benzoic 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

N-(2-Carboxyphenyl)glycine612-42-062 % similar Fenamic acid91-40-758 % similar N-Methylanthranilic acid119-68-656 % similar 2-(2-Phenylethyl)benzoic acid4890-85-154 % similar 2-Carboxyphenylhydrazine hydrochloride52356-01-154 % similar Phthalic acid88-99-352 % similar 2-(Benzyloxy)benzoic acid14389-86-750 % similar Monobenzyl phthalate2528-16-749 % 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-Anilinophenylacetic acid70172-33-7 Benzyl anthranilate82185-41-9

Elsewhere

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