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Home > Other Heterocycles > 90961-82-3
90961-82-3 | 3,7-Diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone, 9-butyl-9-ethyl-
CAS No: 90961-82-3 Catalog No: AG006G9Y MDL No:
Product Description
Catalog Number:
AG006G9Y
Chemical Name:
3,7-Diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone, 9-butyl-9-ethyl-
CAS Number:
90961-82-3
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
9-butyl-9-ethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
InChI:
InChI=1S/C13H18N2O4/c1-3-5-6-13(4-2)7-9(16)14-11(18)8(13)12(19)15-10(7)17/h7-8H,3-6H2,1-2H3,(H,14,16,18)(H,15,17,19)
InChI Key:
DYJYHYSRMDSTAD-UHFFFAOYSA-N
SMILES:
CCCCC1(CC)C2C(=O)NC(=O)C1C(=O)NC2=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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