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

• ChemBase ID: 143819
• Molecular Formular: C8H14ClNS
• Molecular Mass: 191.72146
• Monoisotopic Mass: 191.05354813
• SMILES: CCCC(c1cccs1)N.Cl
• Canonical SMILES: CCCC(c1cccs1)N.Cl
• InChI: InChI=1S/C8H13NS.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H
• InChIKey: DNYQWFOHMZFXMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)butan-1-amine hydrochloride
• IUPAC Traditional name: 1-(thiophen-2-yl)butan-1-amine hydrochloride
• Synonyms: 1-(2-Thienyl)-1-butanamine hydrochloride

Database IDs

• MDL Number: MFCD18071233
• PubChem SID: 162238036
• PubChem CID: 50944213

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.55767584
• LogD (pH = 7.4): 0.5879548
• Log P: 2.3955617
• Molar Refractivity: 44.9651 cm^3
• Polarizability: 17.869755 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H14ClNS

DETAILS

Sigma Aldrich - CBR00906

Other Notes
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Legal Information
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