[(3,5-dimethoxyphenyl)methyl]hydrazine

• ChemBase ID: 117844
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: c1c(cc(cc1OC)CNN)OC
• Canonical SMILES: NNCc1cc(OC)cc(c1)OC
• InChI: InChI=1S/C9H14N2O2/c1-12-8-3-7(6-11-10)4-9(5-8)13-2/h3-5,11H,6,10H2,1-2H3
• InChIKey: CYMHZIZPJZFOTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethoxyphenyl)methyl]hydrazine
• IUPAC Traditional name: [(3,5-dimethoxyphenyl)methyl]hydrazine
• Synonyms: (3,5-dimethoxybenzyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD16660423
• PubChem SID: 162089413
• PubChem CID: 20367225

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4253993
• LogD (pH = 7.4): 0.59633654
• Log P: 0.5990163
• Molar Refractivity: 62.4347 cm^3
• Polarizability: 20.052052 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.83

Product Information

• Purity: 95+%
• Salt Data: HCl