8-(hydrazinylmethyl)quinoline dihydrochloride

• ChemBase ID: 257647
• Molecular Formular: C10H13Cl2N3
• Molecular Mass: 246.13632
• Monoisotopic Mass: 245.04865279
• SMILES: c12c(CNN)cccc2cccn1.Cl.Cl
• Canonical SMILES: NNCc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C10H11N3.2ClH/c11-13-7-9-4-1-3-8-5-2-6-12-10(8)9;;/h1-6,13H,7,11H2;2*1H
• InChIKey: BGFFTVHHDKRGTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(hydrazinylmethyl)quinoline dihydrochloride
• IUPAC Traditional name: 8-(hydrazinylmethyl)quinoline dihydrochloride
• Synonyms: 8-(hydrazinomethyl)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD11505513
• PubChem SID: 164313557
• PubChem CID: 43810715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8853701
• LogD (pH = 7.4): 1.069087
• Log P: 1.0720135
• Molar Refractivity: 63.4296 cm^3
• Polarizability: 21.719044 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.591

Product Information

• Purity: 95%