2-(5-iodothiophen-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 268732
• Molecular Formular: C6H9ClINS
• Molecular Mass: 289.56483
• Monoisotopic Mass: 288.91889597
• SMILES: s1c(ccc1CCN)I.Cl
• Canonical SMILES: NCCc1ccc(s1)I.Cl
• InChI: InChI=1S/C6H8INS.ClH/c7-6-2-1-5(9-6)3-4-8;/h1-2H,3-4,8H2;1H
• InChIKey: QFLKSNUVIYIJHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-iodothiophen-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(5-iodothiophen-2-yl)ethanamine hydrochloride
• Synonyms: 2-(5-iodothiophen-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16622193
• PubChem SID: 164324642
• PubChem CID: 47003405

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59956133
• LogD (pH = 7.4): 0.277617
• Log P: 2.3954973
• Molar Refractivity: 48.8091 cm^3
• Polarizability: 19.385693 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 2.244

Product Information

• Purity: 95%