2-amino-N-methoxy-N-methylbenzamide

• ChemBase ID: 266975
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(c1c(N)cccc1)N(OC)C
• Canonical SMILES: CON(C(=O)c1ccccc1N)C
• InChI: InChI=1S/C9H12N2O2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,10H2,1-2H3
• InChIKey: RIPUVVAYNHOONU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2-amino-N-methoxy-N-methylbenzamide
• Synonyms: 2-amino-N-methoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD12095390
• PubChem SID: 164322885
• PubChem CID: 11052242

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2429442
• LogD (pH = 7.4): 1.2434093
• Log P: 1.2434152
• Molar Refractivity: 50.9804 cm^3
• Polarizability: 18.688858 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%