3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile

Base Information

• Chemical Name: 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
• CAS No.: 76261-54-6
• Molecular Formula: C22H36N8
• Molecular Weight: 412.581
• DSSTox Substance ID: DTXSID10384742
• Nikkaji Number: J3.126.382D
• Wikidata: Q82177076
• ChEMBL ID: CHEMBL1497606

Synonyms:3-[4,8,11-tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile;76261-54-6;1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrapropanenitrile;MLS001181971;SCHEMBL2180105;CHEMBL1497606;DTXSID10384742;HMS2865D11;CCG-53605;SMR000567721;SR-01000642761-1;BRD-K40612942-001-07-5;1,4,8,11-Tetrakis(2-cyanoethyl)-1,4,8,11-tetraazacyclotetradecane

Chemical Property of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 412.30629318
• Heavy Atom Count: 30
• Complexity: 540

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN(CCCN(CCN(C1)CCC#N)CCC#N)CCC#N)CCC#N

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