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98690-27-8 | 1,1'-[IMINOBIS(ETHANE-2,1-DIYLIMINOETHANE-2,1-DIYL)]BISIMIDAZOLIDINE-2,4-DIONE
CAS No: 98690-27-8 Catalog No: AG005U1G MDL No:
Product Description
Catalog Number:
AG005U1G
Chemical Name:
1,1'-[IMINOBIS(ETHANE-2,1-DIYLIMINOETHANE-2,1-DIYL)]BISIMIDAZOLIDINE-2,4-DIONE
CAS Number:
98690-27-8
Molecular Formula:
C14H25N7O4
Molecular Weight:
355.3928
IUPAC Name:
1-[2-[2-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C14H25N7O4/c22-11-9-20(13(24)18-11)7-5-16-3-1-15-2-4-17-6-8-21-10-12(23)19-14(21)25/h15-17H,1-10H2,(H,18,22,24)(H,19,23,25)
InChI Key:
ROKGZEFEAXCPAT-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CN1CCNCCNCCNCCN1CC(=O)NC1=O
EC Number:
308-860-1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
355.399g/mol
Monoisotopic Mass:
355.197g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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