tert-butyl(thiophen-2-ylmethyl)amine

• ChemBase ID: 292097
• Molecular Formular: C9H15NS
• Molecular Mass: 169.2871
• Monoisotopic Mass: 169.09252049
• SMILES: CC(NCc1cccs1)(C)C
• Canonical SMILES: CC(NCc1cccs1)(C)C
• InChI: InChI=1S/C9H15NS/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6,10H,7H2,1-3H3
• InChIKey: HTSDGWXKPHSWMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: tert-butyl(thiophen-2-ylmethyl)amine
• Synonyms: 2-Methyl-N-(thiophen-2-ylmethyl)propan-2-amine

Database IDs

• CAS Number: 344257-87-0
• MDL Number: MFCD04556798
• PubChem SID: 180677628
• PubChem CID: 964770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6673279
• LogD (pH = 7.4): 0.4636899
• Log P: 2.4984357
• Molar Refractivity: 50.0015 cm^3
• Polarizability: 19.714169 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%