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

• ChemBase ID: 76142
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1ccc(cc1)CCNC
• Canonical SMILES: CNCCc1ccncc1
• InChI: InChI=1S/C8H12N2/c1-9-5-2-8-3-6-10-7-4-8/h3-4,6-7,9H,2,5H2,1H3
• InChIKey: QZBUGNURVLWJPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyridin-4-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(pyridin-4-yl)ethyl]amine
• Synonyms: N-methyl-2-(4-pyridinyl)ethanamine; methyl[2-(pyridin-4-yl)ethyl]amine; N-Methyl-2-(pyridin-4-yl)ethylamine; 4-[2-(Methylamino)ethyl]pyridine

Database IDs

• CAS Number: 55496-55-4
• MDL Number: MFCD00047456
• PubChem SID: 162041057
• PubChem CID: 143276

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

Physical Property

• Hydrophobicity(logP): 0.082

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%