3-amino-N,N,2-trimethylbenzamide

• ChemBase ID: 308541
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(c1c(c(N)ccc1)C)N(C)C
• Canonical SMILES: CN(C(=O)c1cccc(c1C)N)C
• InChI: InChI=1S/C10H14N2O/c1-7-8(10(13)12(2)3)5-4-6-9(7)11/h4-6H,11H2,1-3H3
• InChIKey: GOSIRQMOIMXAQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N,2-trimethylbenzamide
• IUPAC Traditional name: 3-amino-N,N,2-trimethylbenzamide
• Synonyms: 3-amino-N,N,2-trimethylbenzamide

Database IDs

• MDL Number: MFCD09739789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9531365
• LogD (pH = 7.4): 0.9557009
• Log P: 0.95573366
• Molar Refractivity: 54.6714 cm^3
• Polarizability: 19.745777 Å^3
• Polar Surface Area: 46.33 Å^2