[(3-bromophenyl)methyl]hydrazine

• ChemBase ID: 117843
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: N(N)Cc1cc(Br)ccc1
• Canonical SMILES: NNCc1cccc(c1)Br
• InChI: InChI=1S/C7H9BrN2/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5,9H2
• InChIKey: VUJAAGDKMIUIFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16660424
• PubChem SID: 162089644
• PubChem CID: 16776578

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

• Partition Coefficient: 1.642

Product Information

• Purity: 95+%
• Salt Data: HCl