3-amino-N,N-dimethylbenzamide

• ChemBase ID: 23637
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(c1cc(N)ccc1)N(C)C
• Canonical SMILES: Nc1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C9H12N2O/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,10H2,1-2H3
• InChIKey: LZPLRAXAVPPVSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33322-60-0
• MDL Number: MFCD01168905
• PubChem SID: 160986944
• PubChem CID: 424774

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4397645
• LogD (pH = 7.4): 0.4422801
• Log P: 0.4423123
• Molar Refractivity: 49.6302 cm^3
• Polarizability: 17.980896 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): -0.11

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%