1-N,1-N,6-trimethylbenzene-1,3-diamine

• ChemBase ID: 308534
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(cc(N)ccc1C)N(C)C
• Canonical SMILES: Nc1ccc(c(c1)N(C)C)C
• InChI: InChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3
• InChIKey: BZFRCCRHMACPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,6-trimethylbenzene-1,3-diamine
• IUPAC Traditional name: 1-N,1-N,6-trimethylbenzene-1,3-diamine
• Synonyms: (5-amino-2-methylphenyl)dimethylamine

Database IDs

• CAS Number: 6406-67-3
• MDL Number: MFCD00462578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3664099
• LogD (pH = 7.4): 1.7575786
• Log P: 1.7657851
• Molar Refractivity: 50.2282 cm^3
• Polarizability: 18.070887 Å^3
• Polar Surface Area: 29.26 Å^2