sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 4,4-diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

4,4-diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

CAS No.:
80721-13-7
Catalog Number:
AG005JRJ
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005JRJ
Chemical Name:
4,4-diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CAS Number:
80721-13-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD20485900
IUPAC Name:
4,4-diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
InChI:
InChI=1S/C11H13N3O2/c1-3-11(4-2)7(5-12)9(15)14-10(16)8(11)6-13/h7-8H,3-4H2,1-2H3,(H,14,15,16)
InChI Key:
FBTAXAUKVNXAEV-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(C#N)C(=O)NC(=O)C1C#N
NSC Number:
39834
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties