1-N,1-N-dimethylbenzene-1,2-diamine dihydrochloride

• ChemBase ID: 255708
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: c1(N(C)C)c(N)cccc1.Cl.Cl
• Canonical SMILES: CN(c1ccccc1N)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h3-6H,9H2,1-2H3;2*1H
• InChIKey: MBRKSKWYAIWADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62654-07-3
• MDL Number: MFCD00042022
• PubChem SID: 164311618
• PubChem CID: 112906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1764077
• LogD (pH = 7.4): 1.2513195
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.305605 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.08

Product Information

• Purity: 95%