2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide hydrochloride

• ChemBase ID: 233703
• Molecular Formular: C9H15ClN2OS
• Molecular Mass: 234.7462
• Monoisotopic Mass: 234.05936179
• SMILES: s1c(ccc1)CNC(=O)CNCC.Cl
• Canonical SMILES: CCNCC(=O)NCc1cccs1.Cl
• InChI: InChI=1S/C9H14N2OS.ClH/c1-2-10-7-9(12)11-6-8-4-3-5-13-8;/h3-5,10H,2,6-7H2,1H3,(H,11,12);1H
• InChIKey: FXSIAUOSPCYUSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide hydrochloride
• Synonyms: 2-(ethylamino)-N-(thien-2-ylmethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08445320
• PubChem SID: 164289613
• PubChem CID: 43810411

CALCULATED PROPERTIES

• Acid pKa: 14.456202
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3117354
• LogD (pH = 7.4): -0.79758525
• Log P: 0.69600075
• Molar Refractivity: 53.748 cm^3
• Polarizability: 20.92803 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.792

Product Information

• Purity: 95%
• Salt Data: HCl