1-(thiophen-2-yl)propan-1-amine

• ChemBase ID: 34751
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(sccc1)C(N)CC
• Canonical SMILES: CCC(c1cccs1)N
• InChI: InChI=1S/C7H11NS/c1-2-6(8)7-4-3-5-9-7/h3-6H,2,8H2,1H3
• InChIKey: MKSQLXYFWYXTSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)propan-1-amine
• Synonyms: 1-Thien-2-ylpropan-1-amine; 1-(thiophen-2-yl)propan-1-amine; 1-(2-thienyl)propan-1-amine

Database IDs

• CAS Number: 6315-55-5
• MDL Number: MFCD09040987
• PubChem SID: 160998058
• PubChem CID: 228351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0035561
• LogD (pH = 7.4): 0.13609813
• Log P: 1.9509931
• Molar Refractivity: 40.3641 cm^3
• Polarizability: 16.025995 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 187°C
• Hydrophobicity(logP): 1.578

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%