(2-phenylethyl)hydrazine dihydrochloride

• ChemBase ID: 258673
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: N(N)CCc1ccccc1.Cl.Cl
• Canonical SMILES: NNCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c9-10-7-6-8-4-2-1-3-5-8;;/h1-5,10H,6-7,9H2;2*1H
• InChIKey: QSHKVNHUVGFHAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)hydrazine dihydrochloride
• IUPAC Traditional name: phenelzine dihydrochloride
• Synonyms: 1-(2-phenylethyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD01722349
• PubChem SID: 164314583
• PubChem CID: 28134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.87542254
• LogD (pH = 7.4): 1.1969012
• Log P: 1.2030201
• Molar Refractivity: 54.2633 cm^3
• Polarizability: 16.82067 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 1.033

Product Information

• Purity: 95%