4-amino-N-methoxy-N-methylbenzamide

• ChemBase ID: 269862
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(N(OC)C)c1ccc(N)cc1
• Canonical SMILES: CON(C(=O)c1ccc(cc1)N)C
• InChI: InChI=1S/C9H12N2O2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,10H2,1-2H3
• InChIKey: ROFBHESDAGOUAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 4-amino-N-methoxy-N-methylbenzamide
• Synonyms: 4-amino-N-methoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD12095384
• PubChem SID: 164325772
• PubChem CID: 43627459

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59166867
• LogD (pH = 7.4): 0.5933932
• Log P: 0.5934152
• Molar Refractivity: 50.9804 cm^3
• Polarizability: 18.686989 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.422

Product Information

• Purity: 95%