4,5-dimethoxybenzene-1,2-diamine dihydrochloride

• ChemBase ID: 261581
• Molecular Formular: C8H14Cl2N2O2
• Molecular Mass: 241.11496
• Monoisotopic Mass: 240.04323306
• SMILES: c1c(c(cc(c1OC)OC)N)N.Cl.Cl
• Canonical SMILES: COc1cc(N)c(cc1OC)N.Cl.Cl
• InChI: InChI=1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H
• InChIKey: ORAAOAMEUMZGGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethoxybenzene-1,2-diamine dihydrochloride
• IUPAC Traditional name: 4,5-dimethoxybenzene-1,2-diamine dihydrochloride
• Synonyms: 4,5-dimethoxybenzene-1,2-bis(aminium) dichloride

Database IDs

• MDL Number: MFCD00190674
• PubChem SID: 164317491
• PubChem CID: 13000219

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.05725162
• LogD (pH = 7.4): -7.1969256E-4
• Log P: 5.1376668E-5
• Molar Refractivity: 48.3852 cm^3
• Polarizability: 17.654821 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266 - 268°C
• Hydrophobicity(logP): -0.644

Product Information

• Purity: 95%