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Home > Imidazoles > 98690-29-0
98690-29-0 | 1,1'-(3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL)BISIMIDAZOLIDINE-2,4-DIONE
CAS No: 98690-29-0 Catalog No: AG006R3J MDL No:
Product Description
Catalog Number:
AG006R3J
Chemical Name:
1,1'-(3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL)BISIMIDAZOLIDINE-2,4-DIONE
CAS Number:
98690-29-0
Molecular Formula:
C16H30N8O4
Molecular Weight:
398.4606
IUPAC Name:
1-[2-[2-[2-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C16H30N8O4/c25-13-11-23(15(27)21-13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-24-12-14(26)22-16(24)28/h17-20H,1-12H2,(H,21,25,27)(H,22,26,28)
InChI Key:
WCHMXXBKHJJRID-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CN1CCNCCNCCNCCNCCN1CC(=O)NC1=O
EC Number:
308-862-2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.239g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
398.468g/mol
Monoisotopic Mass:
398.239g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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