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Home Nitriles Sebaconitrile

Sebaconitrile

CAS No.:
1871-96-1
Catalog Number:
AG003U82
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003U82
Chemical Name:
Sebaconitrile
CAS Number:
1871-96-1
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
MDL Number:
MFCD00019900
IUPAC Name:
decanedinitrile
InChI:
InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2
InChI Key:
DFJYZCUIKPGCSG-UHFFFAOYSA-N
SMILES:
N#CCCCCCCCCC#N
EC Number:
217-494-0
UNII:
6S84VV9MLG
NSC Number:
39461
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles. The Biochemical journal 20081101
temperature-dependent orientational dynamics of 1,n-dicyano n-alkanes. The journal of physical chemistry. B 20080313
Properties