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100453-11-0,MFCD00799271
Catalog No.:AA0001XW

100453-11-0 | Ethyl 1-methylbutyl cyanoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$51.00   $36.00
- +
5g
97%
in stock  
$153.00   $107.00
- +
25g
97%
in stock  
$459.00   $322.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0001XW
Chemical Name:
Ethyl 1-methylbutyl cyanoacetate
CAS Number:
100453-11-0
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
MDL Number:
MFCD00799271
SMILES:
CCCC(C(C(=O)OCC)(C#N)CC)C
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Synonyms
 
453E110  
Downstream Synthesis Route

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1955,vol.75,p.891    Chem.Abstr.,1956,p.4979

[1]Abeetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1955,vol.75,p.891][Chem.Abstr.,1956,p.4979]

Literature
Quotation Request
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SDS
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Tags:100453-11-0 Molecular Formula|100453-11-0 MDL|100453-11-0 SMILES|100453-11-0 Ethyl 1-methylbutyl cyanoacetate
Catalog No.: AA0001XW
100453-11-0,MFCD00799271
100453-11-0 | Ethyl 1-methylbutyl cyanoacetate
Pack Size： 1g
Purity： 97%
in stock
$51.00 $36.00
Pack Size： 5g
Purity： 97%
in stock
$153.00 $107.00
Pack Size： 25g
Purity： 97%
in stock
$459.00 $322.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0001XW
Chemical Name: Ethyl 1-methylbutyl cyanoacetate
CAS Number: 100453-11-0
Molecular Formula: C12H21NO2
Molecular Weight: 211.3006
MDL Number: MFCD00799271
SMILES: CCCC(C(C(=O)OCC)(C#N)CC)C
Properties
Complexity: 254  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
18: 453E110  
Downstream Synthesis Route
107-81-3    1619-58-5    100453-11-0 

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1955,vol.75,p.891    Chem.Abstr.,1956,p.4979

19823-28-0    75-03-6    100453-11-0 

[1]Abeetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1955,vol.75,p.891][Chem.Abstr.,1956,p.4979]

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