[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine hydrochloride

• ChemBase ID: 254347
• Molecular Formular: C9H12BrClN2O2
• Molecular Mass: 295.56078
• Monoisotopic Mass: 293.97706731
• SMILES: c1c2c(cc(c1Br)CNN)OCCO2.Cl
• Canonical SMILES: NNCc1cc2OCCOc2cc1Br.Cl
• InChI: InChI=1S/C9H11BrN2O2.ClH/c10-7-4-9-8(13-1-2-14-9)3-6(7)5-12-11;/h3-4,12H,1-2,5,11H2;1H
• InChIKey: UEXGFNGKZNYCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine hydrochloride
• Synonyms: [(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine hydrochloride

Database IDs

• CAS Number: 926229-75-6
• MDL Number: MFCD09834102
• PubChem SID: 164310257
• PubChem CID: 42940666

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.045029
• LogD (pH = 7.4): 1.1939721
• Log P: 1.196244
• Molar Refractivity: 68.0885 cm^3
• Polarizability: 22.193283 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.562

Product Information

• Purity: 95%
• Salt Data: HCl