(pyridin-3-ylmethyl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 312222
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: c1(cscc1)CNCc1cnccc1
• Canonical SMILES: c1ccc(cn1)CNCc1cscc1
• InChI: InChI=1S/C11H12N2S/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11/h1-6,9,13H,7-8H2
• InChIKey: ULSFSZFNGXBRHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyridin-3-ylmethyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: (pyridin-3-ylmethyl)(thiophen-3-ylmethyl)amine
• Synonyms: (pyridin-3-ylmethyl)(3-thienylmethyl)amine

Database IDs

• CAS Number: 892592-60-8
• MDL Number: MFCD07411595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.92322725
• LogD (pH = 7.4): 0.7762506
• Log P: 1.8188373
• Molar Refractivity: 58.8675 cm^3
• Polarizability: 22.876743 Å^3
• Polar Surface Area: 24.92 Å^2