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

• ChemBase ID: 261713
• Molecular Formular: C7H12ClNS
• Molecular Mass: 177.69488
• Monoisotopic Mass: 177.03789807
• SMILES: c1(sccc1)C(N)CC.Cl
• Canonical SMILES: CCC(c1cccs1)N.Cl
• InChI: InChI=1S/C7H11NS.ClH/c1-2-6(8)7-4-3-5-9-7;/h3-6H,2,8H2,1H3;1H
• InChIKey: ZIODSNVYODEXGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 1-(thiophen-2-yl)propan-1-amine hydrochloride
• Synonyms: 1-(thiophen-2-yl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12912959
• PubChem SID: 164317623
• PubChem CID: 458577

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: 177 - 179°C
• Hydrophobicity(logP): 1.578

Product Information

• Purity: 95%