Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate
• CAS No.: 683274-60-4
• Molecular Formula: C16H22N4O2
• Molecular Weight: 302.37
• Mol file: 683274-60-4.mol

Synonyms:Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate;683274-60-4;SCHEMBL21522388;5-Cyano-2-[4-butoxycarbonyl-1-(1,4-diazepenyl)]-pyridine;Tert-butyl4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate

Chemical Property of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate

Chemical Property:

• PKA: 5.10±0.29(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 302.17427596
• Heavy Atom Count: 22
• Complexity: 437

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C#N

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