(1-phenylethyl)hydrazine hydrochloride

• ChemBase ID: 263461
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1(C(NN)C)ccccc1.Cl
• Canonical SMILES: NNC(c1ccccc1)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-7(10-9)8-5-3-2-4-6-8;/h2-7,10H,9H2,1H3;1H
• InChIKey: FLMNJZPWUCHXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylethyl)hydrazine hydrochloride
• IUPAC Traditional name: mebanazine hydrochloride
• Synonyms: 1-(1-phenylethyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD01722428
• PubChem SID: 164319371
• PubChem CID: 45792342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0825601
• LogD (pH = 7.4): 1.3267331
• Log P: 1.3309338
• Molar Refractivity: 53.9271 cm^3
• Polarizability: 16.898182 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.013

Product Information

• Purity: 95%