4-amino-N,N,2-trimethylbenzamide

• ChemBase ID: 278405
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(c1c(cc(cc1)N)C)N(C)C
• Canonical SMILES: Nc1ccc(c(c1)C)C(=O)N(C)C
• InChI: InChI=1S/C10H14N2O/c1-7-6-8(11)4-5-9(7)10(13)12(2)3/h4-6H,11H2,1-3H3
• InChIKey: DPYZPMBEYWHIDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N,2-trimethylbenzamide
• IUPAC Traditional name: 4-amino-N,N,2-trimethylbenzamide
• Synonyms: 4-amino-N,N,2-trimethylbenzamide

Database IDs

• MDL Number: MFCD16117694
• PubChem SID: 164334315
• PubChem CID: 53622912

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.94966215
• LogD (pH = 7.4): 0.9556567
• Log P: 0.95573366
• Molar Refractivity: 54.6714 cm^3
• Polarizability: 19.745007 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.389

Product Information

• Purity: 95%