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Home > Imidazoles > 98690-31-4
98690-31-4 | 1,1'-[ETHANE-1,2-DIYLBIS(IMINOETHANE-2,1-DIYL)]BISIMIDAZOLIDINE-2,4-DIONE
CAS No: 98690-31-4 Catalog No: AG006R3I MDL No:
Product Description
Catalog Number:
AG006R3I
Chemical Name:
1,1'-[ETHANE-1,2-DIYLBIS(IMINOETHANE-2,1-DIYL)]BISIMIDAZOLIDINE-2,4-DIONE
CAS Number:
98690-31-4
Molecular Formula:
C12H20N6O4
Molecular Weight:
312.3250
IUPAC Name:
1-[2-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethylamino]ethyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C12H20N6O4/c19-9-7-17(11(21)15-9)5-3-13-1-2-14-4-6-18-8-10(20)16-12(18)22/h13-14H,1-8H2,(H,15,19,21)(H,16,20,22)
InChI Key:
JWOVHUWSLSYMHT-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CN1CCNCCNCCN1CC(=O)NC1=O
EC Number:
308-864-3
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
312.33g/mol
Monoisotopic Mass:
312.155g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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