methyl({thieno[2,3-b]pyridin-2-ylmethyl})amine

• ChemBase ID: 88001
• Molecular Formular: C9H10N2S
• Molecular Mass: 178.2541
• Monoisotopic Mass: 178.05646933
• SMILES: s1c(cc2c1nccc2)CNC
• Canonical SMILES: CNCc1cc2c(s1)nccc2
• InChI: InChI=1S/C9H10N2S/c1-10-6-8-5-7-3-2-4-11-9(7)12-8/h2-5,10H,6H2,1H3
• InChIKey: KHFQWFNNJCRAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({thieno[2,3-b]pyridin-2-ylmethyl})amine
• IUPAC Traditional name: methyl({thieno[2,3-b]pyridin-2-ylmethyl})amine
• Synonyms: N-methyl-N-(thieno[2,3-b]pyridin-2-ylmethyl)amine; N-Methyl-1-(thieno[2,3-b]pyridin-2-yl)methylamine; 2-[(Methylamino)methyl]thieno[2,3-b]pyridine 97%

Database IDs

• CAS Number: 868755-42-4
• MDL Number: MFCD08060496
• PubChem SID: 162075041
• PubChem CID: 7537465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4537419
• LogD (pH = 7.4): -0.23040041
• Log P: 1.6898485
• Molar Refractivity: 50.2259 cm^3
• Polarizability: 20.145685 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive

Product Information

• Purity: 97%