2-(hydrazinylmethyl)pyridine dihydrochloride

• ChemBase ID: 63127
• Molecular Formular: C6H11Cl2N3
• Molecular Mass: 196.07764
• Monoisotopic Mass: 195.03300273
• SMILES: c1cc(CNN)ncc1.Cl.Cl
• Canonical SMILES: NNCc1ccccn1.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c7-9-5-6-3-1-2-4-8-6;;/h1-4,9H,5,7H2;2*1H
• InChIKey: ZGYDCMNBAVLMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydrazinylmethyl)pyridine dihydrochloride
• IUPAC Traditional name: 2-(hydrazinylmethyl)pyridine dihydrochloride
• Synonyms: 2-(Hydrazinomethyl)pyridine dihydrochloride

Database IDs

• CAS Number: 89729-00-0
• MDL Number: MFCD09817595
• PubChem SID: 162028866
• PubChem CID: 43810513

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.34784862
• LogD (pH = 7.4): -0.22367583
• Log P: -0.2218417
• Molar Refractivity: 46.8292 cm^3
• Polarizability: 14.122503 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): -0.793

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%