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126473-67-4 | 2,3-Quinoxalinedione, 6,7-diamino-1,4-diethyl-1,4-dihydro-
CAS No: 126473-67-4 Catalog No: AG000SU5 MDL No:
Product Description
Catalog Number:
AG000SU5
Chemical Name:
2,3-Quinoxalinedione, 6,7-diamino-1,4-diethyl-1,4-dihydro-
CAS Number:
126473-67-4
Molecular Formula:
C12H16N4O2
Molecular Weight:
248.2810
IUPAC Name:
6,7-diamino-1,4-diethylquinoxaline-2,3-dione
InChI:
InChI=1S/C12H16N4O2/c1-3-15-9-5-7(13)8(14)6-10(9)16(4-2)12(18)11(15)17/h5-6H,3-4,13-14H2,1-2H3
InChI Key:
KFIHSVVEVFEVLK-UHFFFAOYSA-N
SMILES:
CCn1c2cc(N)c(cc2n(c(=O)c1=O)CC)N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.286g/mol
Monoisotopic Mass:
248.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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