pyridine-2,5-bis(aminium) dichloride

• ChemBase ID: 301992
• Molecular Formular: C5H7Cl2N3
• Molecular Mass: 180.03518
• Monoisotopic Mass: 179.0017026
• SMILES: c1cc(ncc1[NH2+])[NH2+].[Cl-].[Cl-]
• Canonical SMILES: [NH2+]c1ccc(cn1)[NH2+].[Cl-].[Cl-]
• InChI: InChI=1S/C5H7N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h1-3H,6H2,(H2,7,8);2*1H
• InChIKey: RWHNUWWUPZKDQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,5-bis(aminium) dichloride
• IUPAC Traditional name: pyridine-2,5-bis(aminium) dichloride
• Synonyms: 2,5-Pyridinediamine dihydrochloride; 2,5-Diaminopyridine dihydrochloride; 2,5-二氨基吡啶二盐酸盐

Database IDs

• CAS Number: 26878-35-3
• EC Number: 248-083-4
• MDL Number: MFCD00040818
• Beilstein Number: 3912365

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -1.622257
• LogD (pH = 7.4): -0.5384482
• Log P: -0.30782098
• Molar Refractivity: 54.077 cm^3
• Polarizability: 12.301493 Å^3
• Polar Surface Area: 68.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 264°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%