N-(3-chlorophenyl)azepane-1-carboxamide

Base Information

• Chemical Name: N-(3-chlorophenyl)azepane-1-carboxamide
• CAS No.: 301681-03-8
• Molecular Formula: C13H17ClN2O
• Molecular Weight: 252.74
• European Community (EC) Number: 645-282-1
• DSSTox Substance ID: DTXSID70351713
• Wikidata: Q82128336
• ChEMBL ID: CHEMBL1374758
• Mol file: 301681-03-8.mol

Synonyms:N-(3-chlorophenyl)azepane-1-carboxamide;301681-03-8;N-(3-chlorophenyl)-1-azepanecarboxamide;Cambridge id 5229666;CBDivE_013757;Azepane-1-carboxylic acid (3-chloro-phenyl)-amide;MLS001209499;F1724-0378;CHEMBL1374758;DTXSID70351713;HMS2840I06;STL063160;AKOS000498491;SMR000515471;AB00076001-01;AE-848/32800024;SR-01000396820;SR-01000396820-1

Chemical Property of N-(3-chlorophenyl)azepane-1-carboxamide

Chemical Property:

• PKA: 13.48±0.70(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 252.1029409
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

N-(3-chlorophenyl)-1-azepanecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl