2-Amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
• CAS No.: 5580-53-0
• Molecular Formula: C₁₃H₁₄N₂*2ClH
• Molecular Weight: 271.189
• DSSTox Substance ID: DTXSID40365322
• Wikidata: Q82149898

Synonyms:AG-205/37068032;2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile;5580-53-0;Oprea1_158342;DTXSID40365322;RKHCJMJOEKYPMF-UHFFFAOYSA-N

Chemical Property of 2-Amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 6.31E-13mmHg at 25°C
• Boiling Point: 568.2°Cat760mmHg
• Flash Point: 297.4°C
• Density: 1.32g/cm³
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 411.13101
• Heavy Atom Count: 26
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC2=C(CCCC1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)Br

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