(3,4-dimethoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 87202
• Molecular Formular: C8H13ClN2O2
• Molecular Mass: 204.65402
• Monoisotopic Mass: 204.06655535
• SMILES: O(c1c(cc(cc1)NN)OC)C.Cl
• Canonical SMILES: COc1cc(NN)ccc1OC.Cl
• InChI: InChI=1S/C8H12N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: HRSRMSMAVYUKRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3,4-dimethoxyphenyl)hydrazine hydrochloride
• Synonyms: 3,4-Dimethoxyphenylhydrazine hydrochloride

Database IDs

• CAS Number: 40119-17-3
• MDL Number: MFCD08445615
• PubChem SID: 162074318
• PubChem CID: 88490

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.85471046
• LogD (pH = 7.4): 1.0464602
• Log P: 1.0495459
• Molar Refractivity: 48.6911 cm^3
• Polarizability: 17.93074 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true