[(4-methoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 68646
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: N(N)Cc1ccc(cc1)OC.Cl
• Canonical SMILES: NNCc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c1-11-8-4-2-7(3-5-8)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: NWIAETGHZKYGAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(4-methoxyphenyl)methyl]hydrazine hydrochloride
• Synonyms: (4-Methoxybenzyl)hydrazine hydrochloride; 1-[(4-methoxyphenyl)methyl]hydrazine hydrochloride

Database IDs

• CAS Number: 2011-48-5
• MDL Number: MFCD01722406; MFCD06800897
• PubChem SID: 162034376
• PubChem CID: 45789374

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

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 0.623

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%