1-N,1-N,4-trimethylbenzene-1,3-diamine

• ChemBase ID: 308739
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1c(N(C)C)ccc(c1N)C
• Canonical SMILES: CN(c1ccc(c(c1)N)C)C
• InChI: InChI=1S/C9H14N2/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,10H2,1-3H3
• InChIKey: RSAVZMLVLNTTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,4-trimethylbenzene-1,3-diamine
• IUPAC Traditional name: 1-N,1-N,4-trimethylbenzene-1,3-diamine
• Synonyms: (3-amino-4-methylphenyl)dimethylamine

Database IDs

• CAS Number: 6370-29-2
• MDL Number: MFCD11505325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3332111
• LogD (pH = 7.4): 1.7565292
• Log P: 1.7657851
• Molar Refractivity: 50.2282 cm^3
• Polarizability: 18.070852 Å^3
• Polar Surface Area: 29.26 Å^2