2-amino-N,N-diethylbenzamide

• ChemBase ID: 262358
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(c1c(N)cccc1)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccccc1N)CC
• InChI: InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3
• InChIKey: KHEWLEXQLKPLGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-diethylbenzamide
• IUPAC Traditional name: 2-amino-N,N-diethylbenzamide
• Synonyms: 2-amino-N,N-diethylbenzamide

Database IDs

• MDL Number: MFCD01120258
• PubChem SID: 164318268
• PubChem CID: 10104045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8048915
• LogD (pH = 7.4): 1.8059151
• Log P: 1.8059282
• Molar Refractivity: 59.1274 cm^3
• Polarizability: 21.665022 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 0.948

Product Information

• Purity: 95%