Basic information
- CAS
16524-23-5- Standard SMILES
Cc1ccc(Nc2ccccc2C(=O)O)cc1- InChIKey
DEFSEYPSVLNHBM-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- N-(4-Methylphenyl)anthranilic acid
- IUPAC
- 2-(4-methylanilino)benzoic acid
- English name
- 2-[(4-Methylphenyl)amino]benzoic acid
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
16524-23-54-Methyldiphenylamine-2'-carboxylic acidN-(4-Methylphenyl)anthranilic acidDTXSID10167870RefChem:998734-MDPACADTXCID70903612-[(4-methylphenyl)amino]benzoic acid2-(p-Tolylamino)benzoic acid2-(4-methylanilino)benzoic acidBenzoic acid, 2-[(4-methylphenyl)amino]-2-((4-Methylphenyl)amino)benzoic acid
Show more names
n-(p-tolyl)-anthranilicacin-(p-methylphenyl)anthranilicacid2-((4-methylphenyl)amino)-benzoicaci4’-methyl-2-diphenylaminecarboxylicaci4’-methyl-2-diphenylaminecarboxylicacid
CHEMBL2043304Benzoic acid, 2-((4-methylphenyl)amino)-N-(p-Tolyl)anthranilic acidBRN 0648731N-(p-Methylphenyl)anthranilic acidN-p-Tolyl-anthranilsaeure4'-Methyl-2-diphenylaminecarboxylic acid2-Diphenylaminecarboxylic acid, 4'-methyl-
Database identifiers
- CAS
16524-23-5- PubChem CID
- 152155
- DTXSID
DTXSID10167870- ChEMBL
CHEMBL2043304- EC Number
- 100-421-0
- Nikkaji
- J55.263A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
LogP4.09
Physicochemical properties
- Melting point
- 196 °C · 196°C
- Boiling point
- 368.97 °C · 368.97°C (rough estimate)
- Density
- 1.1223 · 1.1223 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- pka
- 3.71 · 3.71±0.36(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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%)
Chemistry & industry
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
郑州原理生物科技有限公司0371-67897870 18339906974 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Zhengzhou Lingzhiyue Technology Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…