Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2)

Base Information

• Chemical Name: Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2)
• CAS No.: 135017-09-3
• Molecular Formula: C24H32N6O9
• Molecular Weight: 548.5457

Synonyms:135017-09-3;Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2);C16H24N6O.2C4H4O4;C16-H24-N6-O.2C4-H4-O4;LS-120018

Chemical Property of Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 1.41E-14mmHg at 25°C
• Boiling Point: 604.8°C at 760 mmHg
• Flash Point: 319.5°C
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 14
• Exact Mass: 548.22307662
• Heavy Atom Count: 39
• Complexity: 584

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MSDS Files:

Useful:

• Canonical SMILES: CNC(=C(C#N)C#N)NCCCNCC1=CC=C(O1)CN(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CNC(=C(C#N)C#N)NCCCNCC1=CC=C(O1)CN(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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