3-amino-4-methoxy-N,N-dimethylbenzamide

• ChemBase ID: 261296
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1cc(c(cc1)OC)N)N(C)C
• Canonical SMILES: COc1ccc(cc1N)C(=O)N(C)C
• InChI: InChI=1S/C10H14N2O2/c1-12(2)10(13)7-4-5-9(14-3)8(11)6-7/h4-6H,11H2,1-3H3
• InChIKey: SJKKMKJDUYNDNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methoxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-amino-4-methoxy-N,N-dimethylbenzamide
• Synonyms: 3-amino-4-methoxy-N,N-dimethylbenzamide

Database IDs

• CAS Number: 953888-49-8
• MDL Number: MFCD09734841
• PubChem SID: 164317206
• PubChem CID: 16788071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2822592
• LogD (pH = 7.4): 0.28461096
• Log P: 0.28464103
• Molar Refractivity: 56.0934 cm^3
• Polarizability: 20.510048 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.139

Product Information

• Purity: 95%