cis-1-(5-Neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-ene

Base Information

• Chemical Name: cis-1-(5-Neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-ene
• CAS No.: 47453-14-5
• Molecular Formula: C23H31NS
• Molecular Weight: 353.5639
• UNII: JF96CC1R0T
• Nikkaji Number: J395.304A
• Mol file: 47453-14-5.mol

Synonyms:cis-1-(5-neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-ene;UK 9040;UK-9040

Chemical Property of cis-1-(5-Neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-ene

Chemical Property:

• Vapor Pressure: 1.53E-09mmHg at 25°C
• Boiling Point: 484.5°Cat760mmHg
• Flash Point: 246.8°C
• PSA: 31.48000
• Density: 1.036g/cm³
• LogP: 6.19220
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 353.21772117
• Heavy Atom Count: 25
• Complexity: 424

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC1=CC=C(S1)C(=CCCN2CCCC2)C3=CC=CC=C3
• Isomeric SMILES: CC(C)(C)CC1=CC=C(S1)/C(=C\CCN2CCCC2)/C3=CC=CC=C3

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