1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane

Base Information

• Chemical Name: 1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane
• CAS No.: 849035-89-8
• Molecular Formula: C12H17 N3 O4 S
• Molecular Weight: 299.35
• Hs Code.: 2933990090
• European Community (EC) Number: 674-398-5
• DSSTox Substance ID: DTXSID70375535
• Wikidata: Q82164102
• Mol file: 849035-89-8.mol

Synonyms:849035-89-8;1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane;1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane;1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane;1-[4-(methylsulphonyl)-2-nitrophenyl]-1,4-diazepane;1-(4-methanesulfonyl-2-nitrophenyl)-1,4-diazepane;DTXSID70375535;ZIB03589;MFCD04037963;AKOS009113623;CS-0456254;1-[4-(methylsulphonyl)-2-nitrophenyl]homopiperazine;1-[4-(Methanesulfonyl)-2-nitrophenyl]-1,4-diazepane

Chemical Property of 1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane

Chemical Property:

• PSA: 103.61000
• LogP: 2.79580
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 299.09397721
• Heavy Atom Count: 20
• Complexity: 443

Purity/Quality:

98%Min ^*data from raw suppliers

1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-]