4-methoxybenzene-1,2-diamine hydrochloride

• ChemBase ID: 291373
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: Nc1ccc(OC)cc1N.Cl
• Canonical SMILES: COc1ccc(c(c1)N)N.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,8-9H2,1H3;1H
• InChIKey: UDVLWGZLJFQYGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybenzene-1,2-diamine hydrochloride
• IUPAC Traditional name: 4-methoxybenzene-1,2-diamine hydrochloride
• Synonyms: 4-Methoxybenzene-1,2-diamine hydrochloride

Database IDs

• CAS Number: 106658-14-4
• MDL Number: MFCD00012968
• PubChem SID: 180676904
• PubChem CID: 12252900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.052331187
• LogD (pH = 7.4): 0.15622127
• Log P: 0.15772264
• Molar Refractivity: 41.922 cm^3
• Polarizability: 15.124485 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%