methyl 2-(dimethylamino)benzoate

• ChemBase ID: 302269
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CN(C)c1ccccc1C(=O)OC
• Canonical SMILES: COC(=O)c1ccccc1N(C)C
• InChI: InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3
• InChIKey: ZCNSBHAIPOWHJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(dimethylamino)benzoate
• IUPAC Traditional name: methyl 2-(dimethylamino)benzoate
• Synonyms: 2-Dimethylaminobenzoic acid methyl ester; Methyl 2-dimethylaminobenzoate; 2-二甲氨基苯甲酸甲酯

Database IDs

• CAS Number: 10072-05-6
• EC Number: 233-202-4
• MDL Number: MFCD00025858
• Beilstein Number: 2804944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0847192
• LogD (pH = 7.4): 2.0847661
• Log P: 2.0847666
• Molar Refractivity: 52.5119 cm^3
• Polarizability: 19.56918 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 133-134°C/16mm
• Flash Point: 122°C(251°F)
• Density: 1.100
• Refractive Index: 1.5555

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%