5-amino-N,N,2-trimethylbenzamide

• ChemBase ID: 235195
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(c1c(ccc(c1)N)C)N(C)C
• Canonical SMILES: CN(C(=O)c1cc(N)ccc1C)C
• InChI: InChI=1S/C10H14N2O/c1-7-4-5-8(11)6-9(7)10(13)12(2)3/h4-6H,11H2,1-3H3
• InChIKey: BPHNFFPYLDLPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13184759
• PubChem SID: 164291105
• PubChem CID: 14839225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9474239
• LogD (pH = 7.4): 0.95562804
• Log P: 0.95573366
• Molar Refractivity: 54.6714 cm^3
• Polarizability: 19.744934 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.389

Product Information

• Purity: 95%