[(3-methoxyphenyl)methyl]hydrazine

• ChemBase ID: 117846
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: N(N)Cc1cc(OC)ccc1
• Canonical SMILES: NNCc1cccc(c1)OC
• InChI: InChI=1S/C8H12N2O/c1-11-8-4-2-3-7(5-8)6-10-9/h2-5,10H,6,9H2,1H3
• InChIKey: UPLGQRHDYAHDRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxyphenyl)methyl]hydrazine
• IUPAC Traditional name: [(3-methoxyphenyl)methyl]hydrazine
• Synonyms: (3-methoxybenzyl)hydrazine; (3-methoxybenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 85293-12-5
• MDL Number: MFCD11983253; MFCD08691586
• PubChem SID: 162089775
• PubChem CID: 2760980

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5645568
• LogD (pH = 7.4): 0.75369334
• Log P: 0.7566876
• Molar Refractivity: 55.9715 cm^3
• Polarizability: 17.539106 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.8

Product Information

• Purity: 95+%
• Salt Data: HCl