2-(pyridin-4-yl)ethan-1-amine hydrochloride

• ChemBase ID: 288626
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: NCCc1ccncc1.Cl
• Canonical SMILES: NCCc1ccncc1.Cl
• InChI: InChI=1S/C7H10N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h2-3,5-6H,1,4,8H2;1H
• InChIKey: GQGKWQYHIZXREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 4-pyridine ethaneamine hydrochloride
• Synonyms: 2-(Pyridin-4-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 6429-12-5
• PubChem SID: 180674157
• PubChem CID: 12425236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1017582
• LogD (pH = 7.4): -2.0964503
• Log P: 0.17000303
• Molar Refractivity: 37.1295 cm^3
• Polarizability: 14.572318 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%