2-hydrazinylpyridine dihydrochloride

• ChemBase ID: 150118
• Molecular Formular: C5H9Cl2N3
• Molecular Mass: 182.05106
• Monoisotopic Mass: 181.01735266
• SMILES: c1ccnc(c1)NN.Cl.Cl
• Canonical SMILES: NNc1ccccn1.Cl.Cl
• InChI: InChI=1S/C5H7N3.2ClH/c6-8-5-3-1-2-4-7-5;;/h1-4H,6H2,(H,7,8);2*1H
• InChIKey: SUVYLXNNAGHJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyridine dihydrochloride
• IUPAC Traditional name: 2(1H)-pyridinone, hydrazone dihydrochloride
• Synonyms: 2-Hydrazinopyridine dihydrochloride; 2-肼吡啶 二盐酸盐

Database IDs

• CAS Number: 62437-99-4
• EC Number: 263-541-3
• MDL Number: MFCD00012814
• PubChem SID: 24895476; 162244280
• PubChem CID: 6454398

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73138523
• LogD (pH = 7.4): -0.15373379
• Log P: 0.7416735
• Molar Refractivity: 33.9213 cm^3
• Polarizability: 11.990431 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212-213 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H7N3 · 2HCl

DETAILS

Sigma Aldrich - H17104

Packaging
10 g in poly bottle