methyl 3-amino-4-(dimethylamino)benzoate

• ChemBase ID: 123956
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(c(ccc(C(=O)OC)c1)N(C)C)N
• Canonical SMILES: COC(=O)c1ccc(c(c1)N)N(C)C
• InChI: InChI=1S/C10H14N2O2/c1-12(2)9-5-4-7(6-8(9)11)10(13)14-3/h4-6H,11H2,1-3H3
• InChIKey: GOHFIZZBXDXZSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-amino-4-(dimethylamino)benzoate
• IUPAC Traditional name: methyl 3-amino-4-(dimethylamino)benzoate
• Synonyms: methyl 3-amino-4-(dimethylamino)benzoate

Database IDs

• PubChem SID: 162218309
• PubChem CID: 30031860

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2548044
• LogD (pH = 7.4): 1.2558277
• Log P: 1.2558407
• Molar Refractivity: 57.2123 cm^3
• Polarizability: 20.714548 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true