[(4-methoxyphenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15550
• Molecular Formular: C8H14Cl2N2O
• Molecular Mass: 225.11556
• Monoisotopic Mass: 224.04831844
• SMILES: c1cc(ccc1OC)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)OC.Cl.Cl
• InChI: InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-7(3-5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
• InChIKey: XMPHUNHAMDBTBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(4-methoxyphenyl)methyl]hydrazine dihydrochloride
• Synonyms: (4-Methoxybenzyl)hydrazine dihydrochloride

Database IDs

• CAS Number: 2011-48-5
• MDL Number: MFCD06800897
• PubChem SID: 160978857
• PubChem CID: 22747476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.54554844
• LogD (pH = 7.4): 0.75327647
• Log P: 0.7566876
• Molar Refractivity: 55.9715 cm^3
• Polarizability: 17.539074 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%