methyl({[6-(thiophen-2-yl)pyridin-3-yl]methyl})amine

• ChemBase ID: 75867
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: s1c(ccc1)c1ncc(cc1)CNC
• Canonical SMILES: CNCc1ccc(nc1)c1cccs1
• InChI: InChI=1S/C11H12N2S/c1-12-7-9-4-5-10(13-8-9)11-3-2-6-14-11/h2-6,8,12H,7H2,1H3
• InChIKey: LFZDJRPWILOVEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[6-(thiophen-2-yl)pyridin-3-yl]methyl})amine
• IUPAC Traditional name: methyl({[6-(thiophen-2-yl)pyridin-3-yl]methyl})amine
• Synonyms: N-methyl-(6-thien-2-ylpyrid-3-yl)methylamine; N-Methyl-1-[6-(thien-2-yl)pyridin-3-yl]methylamine; 5-[(Methylamino)methyl]-2-(thien-2-yl)pyridine 97%

Database IDs

• CAS Number: 886851-41-8
• MDL Number: MFCD09064971
• PubChem SID: 162040785
• PubChem CID: 24229544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.982948
• LogD (pH = 7.4): 0.35169905
• Log P: 2.124146
• Molar Refractivity: 58.8032 cm^3
• Polarizability: 24.286047 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65.5-66.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%