Basic information
- CAS
1222-42-0- Standard SMILES
COC(=O)c1ccccc1Nc1cccc(C)c1C- InChIKey
LCCVYZLUEHOBDC-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Methyl 2-((2,3-dimethylphenyl)amino)benzoate
- IUPAC
- methyl 2-(2,3-dimethylanilino)benzoate
- English name
- 2-[(2,3-Dimethylphenyl)amino]benzoic acid methyl ester
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
1222-42-0methyl 2-[(2,3-dimethylphenyl)amino]benzoateBenzoic acid, 2-[(2,3-dimethylphenyl)amino]-, methyl esterMethyl 2-((2,3-dimethylphenyl)amino)benzoateBenzoic acid, 2-((2,3-dimethylphenyl)amino)-, methyl esterDTXSID20153542RefChem:1089286DTXCID6076033Methyl 2-(2,3-dimethylanilino)benzoateMonomethyl derivative of Mefenamic acidMefenamic Acid Methyl EsterBRN 2218642
Show more names
Mefinamic acid Methyl ester
MFCD01661278Mefenamic acid, methyl esterMefenamic acid, methyl deriv.Mefenamic acid methyl derivative2-[(2,3-Dimethylphenyl)amino]benzoic acid methyl esterSCHEMBL11344390SCHEMBL30593451ALBB-028051
Database identifiers
- CAS
1222-42-0- PubChem CID
- 71040
- DTXSID
DTXSID20153542- Nikkaji
- J125.892C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Boiling point
- 375.3 · 375.3±30.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- -1.21 · -1.21±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers3 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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