2-N-ethylpyridine-2,3-diamine dihydrochloride

• ChemBase ID: 262552
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: c1(ncccc1N)NCC.Cl.Cl
• Canonical SMILES: CCNc1ncccc1N.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-2-9-7-6(8)4-3-5-10-7;;/h3-5H,2,8H2,1H3,(H,9,10);2*1H
• InChIKey: HSLLFQDQWRRCEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-ethylpyridine-2,3-diamine dihydrochloride
• IUPAC Traditional name: 2-N-ethylpyridine-2,3-diamine dihydrochloride
• Synonyms: 2-N-ethylpyridine-2,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD12913192
• PubChem SID: 164318462
• PubChem CID: 45792105

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.94254386
• LogD (pH = 7.4): 0.14397877
• Log P: 0.35069105
• Molar Refractivity: 43.8574 cm^3
• Polarizability: 15.39089 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%