Benzyl anthranilate

C14H13NO2CAS 82185-41-9227.26 g/mol

Open in Covalent MOL file
H2NOO
EsterPrimary amine

Properties

Molecular formula
C14H13NO2
Molar mass
227.26 g/mol
Exact mass
227.0946 Da
Melting point
79–80 °C
logP
2.63Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
82185-41-9
SMILES
Nc1ccccc1C(=O)OCc1ccccc1
InChIKey
ZHZPDMZPDWXVMJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-amino-, phenylmethyl ester
  • Anthranilic acid, benzyl ester
  • Benzyl o-aminobenzoate
  • Benzyl 2-aminobenzoate

Work with Benzyl anthranilate

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

Benzyl phthalate523-31-974 % similar Ethyl 2-aminobenzoate87-25-264 % similar Benzyl salicylate118-58-162 % similar Monobenzyl phthalate2528-16-761 % similar Isobutyl anthranilate7779-77-359 % similar Benzyl benzoate120-51-459 % similar Butyl anthranilate7756-96-957 % similar Benzyl butyl phthalate85-68-756 % 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 2-Anilinophenylacetic acid70172-33-7

Elsewhere

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