2-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride

• ChemBase ID: 101825
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: n1c(CNNC)cccc1.Cl.Cl
• Canonical SMILES: CNNCc1ccccn1.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-8-10-6-7-4-2-3-5-9-7;;/h2-5,8,10H,6H2,1H3;2*1H
• InChIKey: WMJQCUGITXXEOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• IUPAC Traditional name: 2-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• Synonyms: 1-methyl-2-(pyrid-2-ylmethyl)hydrazine dihydrochloride

Database IDs

• PubChem SID: 162105642
• PubChem CID: 71300137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.21860258
• LogD (pH = 7.4): -0.001762201
• Log P: 0.0018343667
• Molar Refractivity: 61.1567 cm^3
• Polarizability: 15.967252 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%