[(2-methoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 16908
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: c1(ccccc1OC)CNN.Cl
• Canonical SMILES: NNCc1ccccc1OC.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c1-11-8-5-3-2-4-7(8)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: HCXYCIDOBGBSGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(2-methoxyphenyl)methyl]hydrazine hydrochloride
• Synonyms: (2-Methoxy-benzyl)-hydrazine hydrochloride

Database IDs

• CAS Number: 85293-10-3
• MDL Number: MFCD09475409
• PubChem SID: 160980215
• PubChem CID: 16187614

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6015533
• LogD (pH = 7.4): 0.75434583
• Log P: 0.7566876
• Molar Refractivity: 55.9715 cm^3
• Polarizability: 17.539326 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false