Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.

Base Information

• Chemical Name: Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.
• CAS No.: 136722-91-3
• Molecular Formula: C20H25ClN6O4
• Molecular Weight: 448.9033
• DSSTox Substance ID: DTXSID90424276
• Mol file: 136722-91-3.mol

Synonyms:Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.;136722-91-3;DTXSID90424276;(1E)-1-[chloro-(cyclopropylmethyl)-methyl-[?]ylidene]guanidine;fumaric acid;Guanidine, [9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]-, (2E)-2-butenedioate (1:1)

Chemical Property of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.

Chemical Property:

• Boiling Point: 559.6°Cat760mmHg
• Flash Point: 292.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 448.1625810
• Heavy Atom Count: 31
• Complexity: 596

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2C3=C(CN1CC4CC4)C=C(C=C3N=C2N=C(N)N)Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1CN2C3=C(CN1CC4CC4)C=C(C=C3N=C2N=C(N)N)Cl.C(=C/C(=O)O)\C(=O)O

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