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

• ChemBase ID: 254348
• Molecular Formular: C11H18BrClN2O2
• Molecular Mass: 325.62982
• Monoisotopic Mass: 324.02401751
• SMILES: c1c(c(cc(c1OCC)OCC)CNN)Br.Cl
• Canonical SMILES: NNCc1cc(OCC)c(cc1Br)OCC.Cl
• InChI: InChI=1S/C11H17BrN2O2.ClH/c1-3-15-10-5-8(7-14-13)9(12)6-11(10)16-4-2;/h5-6,14H,3-4,7,13H2,1-2H3;1H
• InChIKey: VRJNFMLVGAVASD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 926199-79-3
• MDL Number: MFCD09802291
• PubChem SID: 164310258
• PubChem CID: 42940665

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9299704
• LogD (pH = 7.4): 2.0791094
• Log P: 2.081385
• Molar Refractivity: 79.5547 cm^3
• Polarizability: 26.52689 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 2.354

Product Information

• Purity: 95%
• Salt Data: HCl