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

Base Information

• Chemical Name: Propanedinitrile, (1-(2-(methyl((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:2)
• CAS No.: 135017-95-7
• Molecular Formula: C28H36N6O9
• Molecular Weight: 600.6202

Synonyms:135017-95-7;Propanedinitrile, (1-(2-(methyl((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:2);C20H28N6O.2C4H4O4;LS-120035;C20-H28-N6-O.2C4-H4-O4

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

Chemical Property:

• Vapor Pressure: 2.85E-09mmHg at 25°C
• Boiling Point: 477.2°C at 760 mmHg
• Flash Point: 242.4°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 600.25437675
• Heavy Atom Count: 43
• Complexity: 724

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCN1CCNC1=C(C#N)C#N)CC2=CC=C(O2)CN3CCCCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(CC1=CC=C(O1)CN2CCCCC2)CCN3C(=C(C#N)C#N)NCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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