[1-(4-bromophenyl)ethyl]hydrazine dihydrochloride

• ChemBase ID: 265193
• Molecular Formular: C8H13BrCl2N2
• Molecular Mass: 288.01222
• Monoisotopic Mass: 285.96391579
• SMILES: c1(ccc(cc1)Br)C(NN)C.Cl.Cl
• Canonical SMILES: NNC(c1ccc(cc1)Br)C.Cl.Cl
• InChI: InChI=1S/C8H11BrN2.2ClH/c1-6(11-10)7-2-4-8(9)5-3-7;;/h2-6,11H,10H2,1H3;2*1H
• InChIKey: ANQUFKJALDWADZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-bromophenyl)ethyl]hydrazine dihydrochloride
• IUPAC Traditional name: [1-(4-bromophenyl)ethyl]hydrazine dihydrochloride
• Synonyms: [1-(4-bromophenyl)ethyl]hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD14705701
• PubChem SID: 164321103
• PubChem CID: 47002345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8658062
• LogD (pH = 7.4): 2.095801
• Log P: 2.0996864
• Molar Refractivity: 61.5499 cm^3
• Polarizability: 19.59204 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.876

Product Information

• Purity: 95%