2-amino-N,N-dimethylbenzamide

• ChemBase ID: 21566
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(c1c(N)cccc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccccc1N)C
• InChI: InChI=1S/C9H12N2O/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,10H2,1-2H3
• InChIKey: DPXIIVXPZPOINE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-amino-N,N-dimethylbenzamide
• Synonyms: 2-Amino-N,N-dimethylbenzamide

Database IDs

• CAS Number: 6526-66-5
• MDL Number: MFCD01168906
• PubChem SID: 160984873
• PubChem CID: 4778175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0913621
• LogD (pH = 7.4): 1.0923003
• Log P: 1.0923123
• Molar Refractivity: 49.6302 cm^3
• Polarizability: 17.981962 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56 °C; 54-56°C
• Partition Coefficient: 0.728
• Hydrophobicity(logP): -0.11

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%