[(2-bromo-4,5-dimethoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 254345
• Molecular Formular: C9H14BrClN2O2
• Molecular Mass: 297.57666
• Monoisotopic Mass: 295.99271738
• SMILES: c1c(c(cc(c1OC)OC)CNN)Br.Cl
• Canonical SMILES: NNCc1cc(OC)c(cc1Br)OC.Cl
• InChI: InChI=1S/C9H13BrN2O2.ClH/c1-13-8-3-6(5-12-11)7(10)4-9(8)14-2;/h3-4,12H,5,11H2,1-2H3;1H
• InChIKey: PZSGWABFGUXMCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromo-4,5-dimethoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(2-bromo-4,5-dimethoxyphenyl)methyl]hydrazine hydrochloride
• Synonyms: (2-bromo-4,5-dimethoxybenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 887596-58-9
• MDL Number: MFCD09802292
• PubChem SID: 164310255
• PubChem CID: 24661297

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2161291
• LogD (pH = 7.4): 1.3654895
• Log P: 1.3677689
• Molar Refractivity: 70.0575 cm^3
• Polarizability: 22.891659 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 1.297

Product Information

• Purity: 95%
• Salt Data: HCl