CAS 13501-67-2 2-[(4-Methoxyphenyl)amino]benzoic acid (HCID 202918)

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Basic information

CAS: 13501-67-2
Standard SMILES: COc1ccc(Nc2ccccc2C(=O)O)cc1
InChIKey: AOTGWRVCPVLSPA-UHFFFAOYSA-N
Molecular formula: C14H13NO3
Average molar mass: 243.26 g/mol
Monoisotopic mass: 243.08954328

Names & identifiers

Preferred name: 2-[(4-Methoxyphenyl)amino]benzoic acid
IUPAC: 2-(4-methoxyanilino)benzoic acid
English name: 2-(4-Methoxy-phenylamino)-benzoic acid
Molecular formula: C14H13NO3
Molecular weight: 243.26

Names & synonyms

2-((4-Methoxyphenyl)amino)benzoic acid2-[(4-methoxyphenyl)amino]benzoic acidN-(4-Methoxyphenyl)anthranilic acidRefChem:449265838-976-213501-67-22-(4-Methoxyanilino)benzoic acidN-p-Anisylanthranilic acidAnthranilic acid, N-p-anisyl-N-(4-Metenyl)anthranilic acidAnthranilic acid, N-(4-methoxyphenyl)-Benzoic acid, 2-[(4-methoxyphenyl)amino]-

Show more names

2-(4-METHOXY-PHENYLAMINO)-BENZOIC ACIDMLS000775662N-(p-Methoxyphenyl)anthranilic acidMFCD00477471SMR000370544BRN 0654162Cambridge id 54829512-(p-anisidino)benzoic acid

Database identifiers

CAS: 13501-67-2
PubChem CID: 202918
DTXSID: DTXSID40159203
ChEMBL: CHEMBL1596993
EC Number: 838-976-2
Nikkaji: J55.256I

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Experimental & physicochemical properties

LogP3.68

Physicochemical properties

Melting point: 207 ℃ · 207℃
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362