ethyl(thiophen-2-ylmethyl)amine

• ChemBase ID: 247876
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1c(ccc1)CNCC
• Canonical SMILES: CCNCc1cccs1
• InChI: InChI=1S/C7H11NS/c1-2-8-6-7-4-3-5-9-7/h3-5,8H,2,6H2,1H3
• InChIKey: LZRQTSDHULJXBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: ethyl(thiophen-2-ylmethyl)amine
• Synonyms: N-(thien-2-ylmethyl)ethanamine

Database IDs

• CAS Number: 58255-25-7
• MDL Number: MFCD04478205
• PubChem SID: 164303786
• PubChem CID: 4716479

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3314813
• LogD (pH = 7.4): -0.070911
• Log P: 1.801284
• Molar Refractivity: 40.9445 cm^3
• Polarizability: 16.02608 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.685

Product Information

• Purity: 95%