[(3-bromophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 236553
• Molecular Formular: C7H10BrClN2
• Molecular Mass: 237.5247
• Monoisotopic Mass: 235.97158801
• SMILES: N(N)Cc1cc(Br)ccc1.Cl
• Canonical SMILES: NNCc1cccc(c1)Br.Cl
• InChI: InChI=1S/C7H9BrN2.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4,10H,5,9H2;1H
• InChIKey: AYLIHWWTBWSXQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-bromophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(3-bromophenyl)methyl]hydrazine hydrochloride
• Synonyms: [(3-bromophenyl)methyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD16660424
• PubChem SID: 164292463
• PubChem CID: 71755734

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4904622
• LogD (pH = 7.4): 1.6800685
• Log P: 1.6831114
• Molar Refractivity: 57.1311 cm^3
• Polarizability: 17.771166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 1.567

Product Information

• Purity: 95%