4-amino-N,N-diethyl-3-methylbenzamide

• ChemBase ID: 308474
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(=O)(c1cc(c(cc1)N)C)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)C)N)CC
• InChI: InChI=1S/C12H18N2O/c1-4-14(5-2)12(15)10-6-7-11(13)9(3)8-10/h6-8H,4-5,13H2,1-3H3
• InChIKey: FMEAXEPPGCHKAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-diethyl-3-methylbenzamide
• IUPAC Traditional name: 4-amino-N,N-diethyl-3-methylbenzamide
• Synonyms: 4-amino-N,N-diethyl-3-methylbenzamide

Database IDs

• CAS Number: 926229-45-0
• MDL Number: MFCD09048278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6665535
• LogD (pH = 7.4): 1.6693143
• Log P: 1.6693496
• Molar Refractivity: 64.1686 cm^3
• Polarizability: 23.428148 Å^3
• Polar Surface Area: 46.33 Å^2