Home Nitriles 1,3,6-Hexanetricarbonitrile

1,3,6-Hexanetricarbonitrile

CAS No.:
1772-25-4
Catalog Number:
AG002564
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$75
- +
5g
90%
In Stock USA
United States
$225
- +
10g
90%
In Stock USA
United States
$350
- +
25g
90%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG002564
Chemical Name:
1,3,6-Hexanetricarbonitrile
CAS Number:
1772-25-4
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD00129792
IUPAC Name:
hexane-1,3,6-tricarbonitrile
InChI:
InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2
InChI Key:
LNLFLMCWDHZINJ-UHFFFAOYSA-N
SMILES:
N#CCCCC(CCC#N)C#N
EC Number:
217-199-7
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties