[4-(benzyloxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 69671
• Molecular Formular: C13H15ClN2O
• Molecular Mass: 250.724
• Monoisotopic Mass: 250.08729079
• SMILES: N(N)c1ccc(cc1)OCc1ccccc1.Cl
• Canonical SMILES: NNc1ccc(cc1)OCc1ccccc1.Cl
• InChI: InChI=1S/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H
• InChIKey: OVNUPJXMCMTQCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(benzyloxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(benzyloxy)phenyl]hydrazine hydrochloride
• Synonyms: 1-(Benzyloxy)-4-hydrazinobenzene hydrochloride; 4-(Benzyloxy)phenylhydrazine hydrochloride; (4-Benzyloxyphenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 52068-30-1
• MDL Number: MFCD00137741
• PubChem SID: 162035397
• PubChem CID: 3016725

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.710302
• LogD (pH = 7.4): 2.9280684
• Log P: 2.9316902
• Molar Refractivity: 66.8405 cm^3
• Polarizability: 25.017494 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95+%