2-amino-N,N,5-trimethylbenzamide

• ChemBase ID: 274687
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(C(=O)N(C)C)c(ccc(c1)C)N
• Canonical SMILES: Cc1ccc(c(c1)C(=O)N(C)C)N
• InChI: InChI=1S/C10H14N2O/c1-7-4-5-9(11)8(6-7)10(13)12(2)3/h4-6H,11H2,1-3H3
• InChIKey: ZJSZIIIESSNAIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N,5-trimethylbenzamide
• IUPAC Traditional name: 2-amino-N,N,5-trimethylbenzamide
• Synonyms: 2-amino-N,N,5-trimethylbenzamide

Database IDs

• MDL Number: MFCD16783426
• PubChem SID: 164330597
• PubChem CID: 10845051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6034639
• LogD (pH = 7.4): 1.605705
• Log P: 1.6057336
• Molar Refractivity: 54.6714 cm^3
• Polarizability: 19.745129 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 0.389

Product Information

• Purity: 95%