methyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine

• ChemBase ID: 87376
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: n1cc(ccc1)c1ccc(s1)CNC
• Canonical SMILES: CNCc1ccc(s1)c1cccnc1
• InChI: InChI=1S/C11H12N2S/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3
• InChIKey: ZSTXLHXHAPANSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
• Synonyms: N-Methyl-[5-(pyridin-3-yl)thiophen-2-yl]methylamine; 2-[(Methylamino)methyl]-5-pyridin-3-ylthiophene 97%; N-methyl-(5-pyrid-3-ylthien-2-yl)methylamine

Database IDs

• CAS Number: 837376-49-5
• MDL Number: MFCD11109328
• PubChem SID: 162074479
• PubChem CID: 11321674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2980512
• LogD (pH = 7.4): -0.03727245
• Log P: 1.870735
• Molar Refractivity: 58.9593 cm^3
• Polarizability: 24.28264 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%