Propanedinitrile, (1-(2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: Propanedinitrile, (1-(2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
• CAS No.: 135017-84-4
• Molecular Formula: C22H28N6O5
• Molecular Weight: 456.4949

Synonyms:135017-84-4;Propanedinitrile, (1-(2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1);C18H24N6O.C4H4O4;C18-H24-N6-O.C4-H4-O4;LS-120042

Chemical Property of Propanedinitrile, (1-(2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 3.07E-09mmHg at 25°C
• Boiling Point: 476.3°Cat760mmHg
• Flash Point: 241.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 456.21211801
• Heavy Atom Count: 33
• Complexity: 680

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CCN(C1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N.C(=C/C(=O)O)\C(=O)O

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