alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate

Base Information

• Chemical Name: alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate
• CAS No.: 58562-61-1
• Molecular Formula: C25H30N2O7S
• Molecular Weight: 502.5799
• DSSTox Substance ID: DTXSID40974115

Synonyms:alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate;1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate;Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate [French];58562-61-1;Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate;DTXSID40974115;C19H22N2S.C6H8O7;C19-H22-N2-S.C6-H8-O7;LS-137322;2-Hydroxypropane-1,2,3-tricarboxylic acid--2-benzyl-4-(pyrrolidin-1-yl)-2-(thiophen-2-yl)butanenitrile (1/1)

Chemical Property of alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate

Chemical Property:

• Vapor Pressure: 1.98E-09mmHg at 25°C
• Boiling Point: 481.5°C at 760 mmHg
• Flash Point: 245°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 502.17737247
• Heavy Atom Count: 35
• Complexity: 617

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCC(CC2=CC=CC=C2)(C#N)C3=CC=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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