200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 21139-50-4
21139-50-4 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3a,6a-diethyltetrahydro-
CAS No: 21139-50-4 Catalog No: AG002LBP MDL No:
Product Description
Catalog Number:
AG002LBP
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3a,6a-diethyltetrahydro-
CAS Number:
21139-50-4
Molecular Formula:
C8H14N4O2
Molecular Weight:
198.2224
IUPAC Name:
3a,6a-diethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C8H14N4O2/c1-3-7-8(4-2,11-5(13)9-7)12-6(14)10-7/h3-4H2,1-2H3,(H2,9,11,13)(H2,10,12,14)
InChI Key:
IMHNTTZIRIIMGK-UHFFFAOYSA-N
SMILES:
CCC12NC(=O)NC2(CC)NC(=O)N1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.226g/mol
Monoisotopic Mass:
198.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.