3-(hydrazinylmethyl)quinoline dihydrochloride

• ChemBase ID: 239611
• Molecular Formular: C10H13Cl2N3
• Molecular Mass: 246.13632
• Monoisotopic Mass: 245.04865279
• SMILES: n1c2c(cc(c1)CNN)cccc2.Cl.Cl
• Canonical SMILES: NNCc1cnc2c(c1)cccc2.Cl.Cl
• InChI: InChI=1S/C10H11N3.2ClH/c11-13-7-8-5-9-3-1-2-4-10(9)12-6-8;;/h1-6,13H,7,11H2;2*1H
• InChIKey: LINQNBNLOBJGKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hydrazinylmethyl)quinoline dihydrochloride
• IUPAC Traditional name: 3-(hydrazinylmethyl)quinoline dihydrochloride
• Synonyms: 3-(hydrazinylmethyl)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD22378765
• PubChem SID: 164295521
• PubChem CID: 71756440

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.90238714
• LogD (pH = 7.4): 1.069408
• Log P: 1.0720135
• Molar Refractivity: 63.4296 cm^3
• Polarizability: 21.718288 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%