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5459-58-5,MFCD00001941
Catalog No.:AA00I9OC

5459-58-5 | N-Butyl cyanoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$10.00   $7.00
- +
100g
98%
in stock  
$34.00   $24.00
- +
500g
98%
in stock  
$142.00   $99.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I9OC
Chemical Name:
N-Butyl cyanoacetate
CAS Number:
5459-58-5
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD00001941
SMILES:
CCCCOC(=O)CC#N
NSC Number:
24260
Properties
Properties
 
BP:
233.7°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Literature

Title: Synthesis of omega-hydroxy carboxylic acids and alpha,omega-dimethyl ketones using alpha,omega-diols as alkylating agents.

Journal: The Journal of organic chemistry 20100305

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SDS
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Tags:5459-58-5 Molecular Formula|5459-58-5 MDL|5459-58-5 SMILES|5459-58-5 N-Butyl cyanoacetate
Catalog No.: AA00I9OC
5459-58-5,MFCD00001941
5459-58-5 | N-Butyl cyanoacetate
Pack Size： 25g
Purity： 98%
in stock
$10.00 $7.00
Pack Size： 100g
Purity： 98%
in stock
$34.00 $24.00
Pack Size： 500g
Purity： 98%
in stock
$142.00 $99.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I9OC
Chemical Name: N-Butyl cyanoacetate
CAS Number: 5459-58-5
Molecular Formula: C7H11NO2
Molecular Weight: 141.1677
MDL Number: MFCD00001941
SMILES: CCCCOC(=O)CC#N
NSC Number: 24260
Properties
BP: 233.7°C at 760 mmHg  
Form: Liquid  
Storage: Keep in dry area;2-8℃;  
Complexity: 145  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Literature fold

Title: Synthesis of omega-hydroxy carboxylic acids and alpha,omega-dimethyl ketones using alpha,omega-diols as alkylating agents.

Journal: The Journal of organic chemistry20100305

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