[(4-methoxyphenyl)methyl]hydrazine

• ChemBase ID: 70123
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: N(N)Cc1ccc(cc1)OC
• Canonical SMILES: NNCc1ccc(cc1)OC
• InChI: InChI=1S/C8H12N2O/c1-11-8-4-2-7(3-5-8)6-10-9/h2-5,10H,6,9H2,1H3
• InChIKey: AQURFXLIZXOCLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 140-69-2
• MDL Number: MFCD01722406; MFCD07786530
• PubChem SID: 162035848
• PubChem CID: 16194

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.54307234
• LogD (pH = 7.4): 0.7532759
• 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

Physical Property

• Partition Coefficient: 1.857

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%
• Salt Data: HCl