1-N,2-dimethylbenzene-1,4-diamine

• ChemBase ID: 237697
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(ccc(c1)N)NC)C
• Canonical SMILES: CNc1ccc(cc1C)N
• InChI: InChI=1S/C8H12N2/c1-6-5-7(9)3-4-8(6)10-2/h3-5,10H,9H2,1-2H3
• InChIKey: RIOVHFAPKHJFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,2-dimethylbenzene-1,4-diamine
• IUPAC Traditional name: 1-N,2-dimethylbenzene-1,4-diamine
• Synonyms: 1-N,2-dimethylbenzene-1,4-diamine

Database IDs

• MDL Number: MFCD11106390
• PubChem SID: 164293607
• PubChem CID: 20272719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.05137475
• LogD (pH = 7.4): 1.0562766
• Log P: 1.1305194
• Molar Refractivity: 45.9934 cm^3
• Polarizability: 16.225035 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.913

Product Information

• Purity: 95%