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

• ChemBase ID: 17043
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: c1(C(CCC)N)cccs1
• Canonical SMILES: CCCC(c1cccs1)N
• InChI: InChI=1S/C8H13NS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3
• InChIKey: TZMMVAUKJDWTAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)butan-1-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)butan-1-amine
• Synonyms: 1-(2-thienyl)-1-butanamine; 1-Thiophen-2-yl-butylamine; 1-(thiophen-2-yl)butan-1-amine

Database IDs

• CAS Number: 473732-79-5
• MDL Number: MFCD07186377
• PubChem SID: 160980350
• PubChem CID: 3159239

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

Physical Property

• Hydrophobicity(logP): 2.107

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%