4-(hydrazinylmethyl)pyridine dihydrochloride

• ChemBase ID: 15017
• Molecular Formular: C6H11Cl2N3
• Molecular Mass: 196.07764
• Monoisotopic Mass: 195.03300273
• SMILES: C(NN)c1ccncc1.Cl.Cl
• Canonical SMILES: NNCc1ccncc1.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c7-9-5-6-1-3-8-4-2-6;;/h1-4,9H,5,7H2;2*1H
• InChIKey: OYPSNYWOQNBMLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinylmethyl)pyridine dihydrochloride
• IUPAC Traditional name: 4-(hydrazinylmethyl)pyridine dihydrochloride
• Synonyms: (4-Pyridylmethyl)hydrazine dihydrochloride; [(Pyridin-4-yl)methyl]hydrazine dihydrochloride; 4-(Hydrazinomethyl)pyridine dihydrochloride

Database IDs

• CAS Number: 89598-56-1
• MDL Number: MFCD06245508
• PubChem SID: 160978324
• PubChem CID: 2760983

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4783251
• LogD (pH = 7.4): -0.30600125
• Log P: -0.30331358
• Molar Refractivity: 47.3514 cm^3
• Polarizability: 14.121351 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >155°C; >200(dec.)°C; 174 - 176°C
• Hydrophobicity(logP): -0.793

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 98%