1-(pyridin-4-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 293141
• Molecular Formular: C7H12Cl2N2
• Molecular Mass: 195.08958
• Monoisotopic Mass: 194.03775375
• SMILES: CC(N)c1ccncc1.Cl.Cl
• Canonical SMILES: CC(c1ccncc1)N.Cl.Cl
• InChI: InChI=1S/C7H10N2.2ClH/c1-6(8)7-2-4-9-5-3-7;;/h2-6H,8H2,1H3;2*1H
• InChIKey: JDRXYBFUHCUEFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(pyridin-4-yl)ethanamine dihydrochloride
• Synonyms: 1-(Pyridin-4-yl)ethanamine dihydrochloride

Database IDs

• CAS Number: 174132-32-2
• PubChem SID: 180678672
• PubChem CID: 23509294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6926537
• LogD (pH = 7.4): -1.7596408
• Log P: 0.29791686
• Molar Refractivity: 36.7933 cm^3
• Polarizability: 14.649602 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%