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542-54-1,MFCD00001967
Catalog No.:AA003R0R

542-54-1 | Isocapronitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$59.00   $42.00
- +
5g
98%
in stock  
$139.00   $97.00
- +
25g
98%
in stock  
$456.00 $319.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R0R
Chemical Name:
Isocapronitrile
CAS Number:
542-54-1
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD00001967
SMILES:
N#CCCC(C)C
NSC Number:
6109
Properties
Properties
 
BP:
156.5°C  
Form:
Liquid  
MP:
-51°  
Refractive Index:
1.4050-1.4070  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
75.4  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature
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SDS
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Tags:542-54-1 Molecular Formula|542-54-1 MDL|542-54-1 SMILES|542-54-1 Isocapronitrile
Catalog No.: AA003R0R
542-54-1,MFCD00001967
542-54-1 | Isocapronitrile
Pack Size： 1g
Purity： 98%
in stock
$59.00 $42.00
Pack Size： 5g
Purity： 98%
in stock
$139.00 $97.00
Pack Size： 25g
Purity： 98%
in stock
$456.00 $319.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R0R
Chemical Name: Isocapronitrile
CAS Number: 542-54-1
Molecular Formula: C6H11N
Molecular Weight: 97.1582
MDL Number: MFCD00001967
SMILES: N#CCCC(C)C
NSC Number: 6109
Properties
BP: 156.5°C  
Form: Liquid  
MP: -51°  
Refractive Index: 1.4050-1.4070  
Storage: Room Temperature;Keep in dry area;  
Complexity: 75.4  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
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