31696-09-0,MFCD17926218
Catalog No.:AA003PXW

31696-09-0 | 1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$54.00   $38.00
- +
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA003PXW
Chemical Name:
1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
CAS Number:
31696-09-0
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
MDL Number:
MFCD17926218
SMILES:
CCOC(=O)C1CCN(CCC1=O)C(=O)OCc1ccccc1
Properties
Properties
 
BP:
459.7°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
431  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Literature
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Additional Info:
SDS
Tags:31696-09-0 Molecular Formula|31696-09-0 MDL|31696-09-0 SMILES|31696-09-0 1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
Catalog No.: AA003PXW
31696-09-0,MFCD17926218
31696-09-0 | 1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
Pack Size: 1g
Purity: 95%
in stock
$54.00 $38.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003PXW
Chemical Name: 1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
CAS Number: 31696-09-0
Molecular Formula: C17H21NO5
Molecular Weight: 319.3523
MDL Number: MFCD17926218
SMILES: CCOC(=O)C1CCN(CCC1=O)C(=O)OCc1ccccc1
Properties
BP: 459.7°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 431  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
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