methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride

• ChemBase ID: 90192
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: n1ccc(cc1)CCNC.Cl
• Canonical SMILES: CNCCc1ccncc1.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-9-5-2-8-3-6-10-7-4-8;/h3-4,6-7,9H,2,5H2,1H3;1H
• InChIKey: MGTSFMKKQHQDRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride
• Synonyms: 4-[2-(Methylamino)ethyl]pyridine hydrochloride

Database IDs

• PubChem SID: 162104732
• PubChem CID: 44119600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8253207
• LogD (pH = 7.4): -1.894605
• Log P: 0.6025834
• Molar Refractivity: 41.9041 cm^3
• Polarizability: 16.418547 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant