3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide

Base Information

• Chemical Name: 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide
• CAS No.: 115087-91-7
• Molecular Formula: C18H30 Cl N7 O
• Molecular Weight: 395.93
• DSSTox Substance ID: DTXSID60150954
• Mol file: 115087-91-7.mol

Synonyms:115087-91-7;3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide;3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;3-AMINO-5-(1-AZACYCLOTRIDEC-1-YL)-6-CHLORO-N-(DIAMINOMETHYLIDENE)PYRAZ INE-2-CARBOXAMIDE;DTXSID60150954

Chemical Property of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide

Chemical Property:

• Vapor Pressure: 8.67E-18mmHg at 25°C
• Boiling Point: 669.5°Cat760mmHg
• PKA: 8.81±0.46(Predicted)
• Flash Point: 358.7°C
• PSA: 137.50000
• Density: 1.37g/cm³
• LogP: 5.07750
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 395.2200363
• Heavy Atom Count: 27
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCCN(CCCCC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

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