331256-11-2,MFCD00577628
Catalog No.:AA00IWYM

331256-11-2 | 2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine

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  • Properties
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Technical Information
Catalog Number:
AA00IWYM
Chemical Name:
2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
CAS Number:
331256-11-2
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD00577628
SMILES:
CCC1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
440  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:331256-11-2 Molecular Formula|331256-11-2 MDL|331256-11-2 SMILES|331256-11-2 2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
Catalog No.: AA00IWYM
331256-11-2,MFCD00577628
331256-11-2 | 2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00IWYM
Chemical Name: 2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
CAS Number: 331256-11-2
Molecular Formula: C13H18N2O4S
Molecular Weight: 298.3580
MDL Number: MFCD00577628
SMILES: CCC1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity: 440  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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