2-(thiophen-3-yl)ethan-1-amine hydrochloride

• ChemBase ID: 88177
• Molecular Formular: C6H10ClNS
• Molecular Mass: 163.6683
• Monoisotopic Mass: 163.02224801
• SMILES: s1cc(cc1)CCN.Cl
• Canonical SMILES: NCCc1cscc1.Cl
• InChI: InChI=1S/C6H9NS.ClH/c7-3-1-6-2-4-8-5-6;/h2,4-5H,1,3,7H2;1H
• InChIKey: PYUCPHDVJORSMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(thiophen-3-yl)ethanamine hydrochloride
• Synonyms: 2-(thiophen-3-yl)ethan-1-amine hydrochloride; 2-(Thiophen-3-yl)ethanamine hydrochloride; 2-(Thien-3-yl)ethylamine hydrochloride; 3-(2-Aminoethyl)thiophene hydrochloride

Database IDs

• CAS Number: 34843-84-0
• MDL Number: MFCD09265521
• PubChem SID: 162075201
• PubChem CID: 12258738

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8367493
• LogD (pH = 7.4): -1.0647765
• Log P: 1.1681174
• Molar Refractivity: 36.3922 cm^3
• Polarizability: 14.099807 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 1.079

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%