(3-methoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 19140
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: c1cc(cc(c1)NN)OC.Cl
• Canonical SMILES: NNc1cccc(c1)OC.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: GMXFZBZOVZOYNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-methoxyphenyl)hydrazine hydrochloride
• Synonyms: 3-Methoxyphenylhydrazine hydrochloride; (3-methoxyphenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 39232-91-2
• MDL Number: MFCD00044416
• PubChem SID: 160982447
• PubChem CID: 2723940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0079982
• LogD (pH = 7.4): 1.2040452
• Log P: 1.2072172
• Molar Refractivity: 42.2279 cm^3
• Polarizability: 15.406633 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142°C(dec); 16 - 18°C
• Hydrophobicity(logP): 1.368

Safety Information

• Storage Warning: IRRITANT, KEEP COLD
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%