pyridin-4-ylmethanamine hydrochloride

• ChemBase ID: 287454
• Molecular Formular: C6H9ClN2
• Molecular Mass: 144.60206
• Monoisotopic Mass: 144.04542598
• SMILES: Cl.NCc1ccncc1
• Canonical SMILES: NCc1ccncc1.Cl
• InChI: InChI=1S/C6H8N2.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5,7H2;1H
• InChIKey: OOSYLIFOSMQOJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-4-ylmethanamine hydrochloride
• IUPAC Traditional name: 4-pyridinemethaneamine hydrochloride
• Synonyms: Pyridin-4-ylmethanamine hydrochloride

Database IDs

• CAS Number: 64460-41-9
• MDL Number: MFCD06637470
• PubChem SID: 180672985
• PubChem CID: 12238842

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.080511
• LogD (pH = 7.4): -1.965941
• Log P: -0.11865818
• Molar Refractivity: 32.3745 cm^3
• Polarizability: 12.803808 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%