N-(thiophen-2-ylmethyl)pyridin-2-amine

• ChemBase ID: 114644
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: s1c(ccc1)CNc1ncccc1
• Canonical SMILES: c1ccc(nc1)NCc1cccs1
• InChI: InChI=1S/C10H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h1-7H,8H2,(H,11,12)
• InChIKey: SQJPDAQZMOQYLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-ylmethyl)pyridin-2-amine
• IUPAC Traditional name: N-(thiophen-2-ylmethyl)pyridin-2-amine
• Synonyms: N-(2-thienylmethyl)pyridin-2-amine; N-(thiophen-2-ylmethyl)pyridin-2-amine

Database IDs

• CAS Number: 140-19-2
• MDL Number: MFCD03826740
• PubChem SID: 162099496
• PubChem CID: 67323

CALCULATED PROPERTIES

• Acid pKa: 19.670977
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4848216
• LogD (pH = 7.4): 2.4004345
• Log P: 2.4601636
• Molar Refractivity: 55.9109 cm^3
• Polarizability: 20.65138 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Partition Coefficient: 1.694
• Hydrophobicity(logP): 2.21

Product Information

• Purity: 95%; 95+%