4-Methyl-alpha-(1-methylethyl)-alpha-2-thienyl-1-piperidinebutanenitrile

Base Information

• Chemical Name: 4-Methyl-alpha-(1-methylethyl)-alpha-2-thienyl-1-piperidinebutanenitrile
• CAS No.: 64647-42-3
• Molecular Formula: C17H26 N2 S
• Molecular Weight: 290.47
• DSSTox Substance ID: DTXSID80983266
• Nikkaji Number: J62.725I
• Mol file: 64647-42-3.mol

Synonyms:64647-42-3;4-Methyl-alpha-(1-methylethyl)-alpha-2-thienyl-1-piperidinebutanenitrile;1-Piperidinebutyronitrile, 4-methyl-alpha-(1-methylethyl)-alpha-2-thienyl-;Isopropyl-2 (methyl-4' piperidinyl-1')-4 (thienyl-2'')-2 butyronitrile [French];3-Methyl-2-[2-(4-methyl-1-piperidinyl)ethyl]-2-(2-thienyl)butanenitrile;Isopropyl-2 (methyl-4' piperidinyl-1')-4 (thienyl-2'')-2 butyronitrile;C17H26N2S;DTXSID80983266;C17-H26-N2-S;LS-114453;4-Methyl-alpha-(1-methylethyl)-alpha-(2-thienyl)-1-piperidinebutyronitrile;3-METHYL-2-[2-(4-METHYLPIPERIDIN-1-YL)ETHYL]-2-(THIOPHEN-2-YL)BUTANENITRILE

Chemical Property of 4-Methyl-alpha-(1-methylethyl)-alpha-2-thienyl-1-piperidinebutanenitrile

Chemical Property:

• Vapor Pressure: 2.95E-07mmHg at 25°C
• Boiling Point: 419.8°C at 760 mmHg
• PKA: 8.74±0.10(Predicted)
• Flash Point: 207.7°C
• PSA: 55.27000
• Density: 1.028g/cm³
• LogP: 4.22538
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.18167001
• Heavy Atom Count: 20
• Complexity: 351

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)CCC(C#N)(C2=CC=CS2)C(C)C