2-N-propylpyridine-2,3-diamine dihydrochloride

• ChemBase ID: 240126
• Molecular Formular: C8H15Cl2N3
• Molecular Mass: 224.1308
• Monoisotopic Mass: 223.06430286
• SMILES: c1(ncccc1N)NCCC.Cl.Cl
• Canonical SMILES: CCCNc1ncccc1N.Cl.Cl
• InChI: InChI=1S/C8H13N3.2ClH/c1-2-5-10-8-7(9)4-3-6-11-8;;/h3-4,6H,2,5,9H2,1H3,(H,10,11);2*1H
• InChIKey: SRYXCAASPNGGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378789
• PubChem SID: 164296036
• PubChem CID: 71756468

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.41904014
• LogD (pH = 7.4): 0.6675143
• Log P: 0.87321347
• Molar Refractivity: 48.3814 cm^3
• Polarizability: 17.233608 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.847

Product Information

• Purity: 95%