4-hydrazinylpyridine hydrochloride

• ChemBase ID: 24710
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: c1cnccc1NN.Cl
• Canonical SMILES: NNc1ccncc1.Cl
• InChI: InChI=1S/C5H7N3.ClH/c6-8-5-1-3-7-4-2-5;/h1-4H,6H2,(H,7,8);1H
• InChIKey: MMLHRYAPGSEXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylpyridine hydrochloride
• IUPAC Traditional name: 4-hydrazinylpyridine hydrochloride
• Synonyms: 4-Hydrazinopyridine hydrochloride; 4-Hydrazinopyridine hydrochloride; 4-hydrazinylpyridine hydrochloride

Database IDs

• CAS Number: 20815-52-5; 52834-40-9
• MDL Number: MFCD00035353
• PubChem SID: 160988017
• PubChem CID: 22320258

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8640233
• LogD (pH = 7.4): 0.045043156
• Log P: 0.14721599
• Molar Refractivity: 33.6078 cm^3
• Polarizability: 11.985546 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C; 244-250 °C
• Hydrophobicity(logP): 0.74

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C5H8ClN3

DETAILS

Sigma Aldrich - 736805

Packaging
250 mg in glass bottle