(2-phenylethyl)hydrazine hydrochloride

• ChemBase ID: 23989
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1(ccccc1)CCNN.Cl
• Canonical SMILES: NNCCc1ccccc1.Cl
• InChI: InChI=1S/C8H12N2.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
• InChIKey: YXTQJIOOEPPOBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)hydrazine hydrochloride
• IUPAC Traditional name: phenelzine hydrochloride
• Synonyms: Phenethyl-hydrazine hydrochloride; 1-(2-phenylethyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD01722350
• PubChem SID: 160987296
• PubChem CID: 154983

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

• Hydrophobicity(logP): 1.033

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%