N,N-diethyl-2,3-dimethylbenzamide

• ChemBase ID: 293130
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O=C(N(CC)CC)c1cccc(C)c1C
• Canonical SMILES: CCN(C(=O)c1cccc(c1C)C)CC
• InChI: InChI=1S/C13H19NO/c1-5-14(6-2)13(15)12-9-7-8-10(3)11(12)4/h7-9H,5-6H2,1-4H3
• InChIKey: SMVYLWURFNYXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2,3-dimethylbenzamide
• IUPAC Traditional name: N,N-diethyl-2,3-dimethylbenzamide
• Synonyms: N,N-Diethyl-2,3-dimethylbenzamide

Database IDs

• CAS Number: 57806-76-5
• MDL Number: MFCD06797096
• PubChem SID: 180678661
• PubChem CID: 15621069

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0116968
• LogD (pH = 7.4): 3.0116968
• Log P: 3.0116968
• Molar Refractivity: 64.5094 cm^3
• Polarizability: 24.061298 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%