pyridine-2,5-diamine dihydrochloride

• ChemBase ID: 91027
• Molecular Formular: C5H9Cl2N3
• Molecular Mass: 182.05106
• Monoisotopic Mass: 181.01735266
• SMILES: n1c(ccc(c1)N)N.Cl.Cl
• Canonical SMILES: Nc1ccc(cn1)N.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-diamine dihydrochloride
• IUPAC Traditional name: 2,5-diaminopyridine dihydrochloride
• Synonyms: 2,5-Diaminopyridine dihydrochloride; 2,5-Diaminopyridine dihydrochloride 96%; 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
• PubChem SID: 24851610; 162077731
• PubChem CID: 117889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.622257
• LogD (pH = 7.4): -0.5384482
• Log P: -0.30782098
• Molar Refractivity: 33.6154 cm^3
• Polarizability: 11.708321 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 °C (dec.)(lit.); 264°C

Safety Information

• Storage Warning: Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H7N3 · 2HCl

DETAILS

Sigma Aldrich - 193755

Packaging
25 g in glass bottle