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94134-13-1 | 1,1'-(OCTANE-1,8-DIYL)BISIMIDAZOLIDINE-2,4-DIONE
CAS No: 94134-13-1 Catalog No: AG006R68 MDL No:
Product Description
Catalog Number:
AG006R68
Chemical Name:
1,1'-(OCTANE-1,8-DIYL)BISIMIDAZOLIDINE-2,4-DIONE
CAS Number:
94134-13-1
Molecular Formula:
C14H22N4O4
Molecular Weight:
310.3489
IUPAC Name:
1-[8-(2,4-dioxoimidazolidin-1-yl)octyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C14H22N4O4/c19-11-9-17(13(21)15-11)7-5-3-1-2-4-6-8-18-10-12(20)16-14(18)22/h1-10H2,(H,15,19,21)(H,16,20,22)
InChI Key:
NQSOSHMQQKIGLG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CN1CCCCCCCCN1CC(=O)NC1=O
EC Number:
302-780-0
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.354g/mol
Monoisotopic Mass:
310.164g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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