2-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride

• ChemBase ID: 101821
• Molecular Formular: C10H19Cl2N3
• Molecular Mass: 252.18396
• Monoisotopic Mass: 251.09560298
• SMILES: n1c(CNNCC(C)C)cccc1.Cl.Cl
• Canonical SMILES: CC(CNNCc1ccccn1)C.Cl.Cl
• InChI: InChI=1S/C10H17N3.2ClH/c1-9(2)7-12-13-8-10-5-3-4-6-11-10;;/h3-6,9,12-13H,7-8H2,1-2H3;2*1H
• InChIKey: ZJOBBWJQULUSIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride
• IUPAC Traditional name: 2-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride
• Synonyms: 1-isobutyl-2-(pyrid-2-ylmethyl)hydrazine dihydrochloride

Database IDs

• PubChem SID: 162105350
• PubChem CID: 71300115

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8105997
• LogD (pH = 7.4): 1.236805
• Log P: 1.2461375
• Molar Refractivity: 74.9009 cm^3
• Polarizability: 21.503748 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%