tetramethylbenzene-1,2-diamine

• ChemBase ID: 80976
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: Nc1c(c(c(c(c1C)C)C)C)N
• Canonical SMILES: Cc1c(C)c(C)c(c(c1C)N)N
• InChI: InChI=1S/C10H16N2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h11-12H2,1-4H3
• InChIKey: IIXBOEDONSWOCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylbenzene-1,2-diamine
• IUPAC Traditional name: tetramethylbenzene-1,2-diamine
• Synonyms: 3,4,5,6-tetramethylbenzene-1,2-diamine

Database IDs

• CAS Number: 67130-14-7
• MDL Number: MFCD00119563
• PubChem SID: 162068095
• PubChem CID: 2776822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1921873
• LogD (pH = 7.4): 2.3663318
• Log P: 2.3690794
• Molar Refractivity: 55.6236 cm^3
• Polarizability: 19.6779 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true