[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]hydrazine hydrochloride

• ChemBase ID: 254346
• Molecular Formular: C8H10BrClN2O2
• Molecular Mass: 281.5342
• Monoisotopic Mass: 279.96141725
• SMILES: c1c2c(cc(c1Br)CNN)OCO2.Cl
• Canonical SMILES: NNCc1cc2OCOc2cc1Br.Cl
• InChI: InChI=1S/C8H9BrN2O2.ClH/c9-6-2-8-7(12-4-13-8)1-5(6)3-11-10;/h1-2,11H,3-4,10H2;1H
• InChIKey: ZKRLMPWGDKINLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]hydrazine hydrochloride
• Synonyms: [(6-bromo-1,3-benzodioxol-5-yl)methyl]hydrazine hydrochloride

Database IDs

• CAS Number: 926268-72-6
• MDL Number: MFCD09834101
• PubChem SID: 164310256
• PubChem CID: 42940668

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1570404
• LogD (pH = 7.4): 1.3041068
• Log P: 1.306345
• Molar Refractivity: 62.898 cm^3
• Polarizability: 20.382504 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.204

Product Information

• Purity: 95%
• Salt Data: HCl