3-(hydrazinylmethyl)pyridine dihydrochloride

• ChemBase ID: 63126
• Molecular Formular: C6H11Cl2N3
• Molecular Mass: 196.07764
• Monoisotopic Mass: 195.03300273
• SMILES: Cl.n1cc(CNN)ccc1.Cl
• Canonical SMILES: NNCc1cccnc1.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c7-9-5-6-2-1-3-8-4-6;;/h1-4,9H,5,7H2;2*1H
• InChIKey: GYVCZQLWOYQHGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6978-97-8
• MDL Number: MFCD10686872
• PubChem SID: 162028865
• PubChem CID: 18975070

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.46051294
• LogD (pH = 7.4): -0.30569157
• Log P: -0.30331358
• Molar Refractivity: 47.3514 cm^3
• Polarizability: 14.121617 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): -0.793

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%