1-(p-Cyanophenyl)-3-(hexahydro-1H-azepin-1-yl)urea

Base Information

• Chemical Name: 1-(p-Cyanophenyl)-3-(hexahydro-1H-azepin-1-yl)urea
• CAS No.: 73953-72-7
• Molecular Formula: C14H18 N4 O
• Molecular Weight: 0
• NSC Number: 89368
• UNII: TJ0QO5MMZ2
• DSSTox Substance ID: DTXSID10224674
• Nikkaji Number: J87.614C
• Wikidata: Q83103323
• ChEMBL ID: CHEMBL1885265
• Mol file: 73953-72-7.mol

Synonyms:1-(p-Cyanophenyl)-3-(hexahydro-1H-azepin-1-yl)urea;73953-72-7;Urea, 1-(p-cyanophenyl)-3-(hexahydro-1H-azepin-1-yl)-;Urea, N-(4-cyanophenyl)-N'-(hexahydro-1H-azepin-1-yl)-;TJ0QO5MMZ2;MLS002694931;NSC-89368;NSC 89368;NSC89368;UNII-TJ0QO5MMZ2;NCIOpen2_005500;CHEMBL1885265;DTXSID10224674;HMS3092G17;SMR001560845

Chemical Property of 1-(p-Cyanophenyl)-3-(hexahydro-1H-azepin-1-yl)urea

Chemical Property:

• PSA: 68.16000
• Density: 1.2g/cm³
• LogP: 2.87258
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.14806121
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)NC(=O)NC2=CC=C(C=C2)C#N

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