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Home > Imidazoles > 94201-98-6
94201-98-6 | 4,5-DIHYDROXY-1,3-DIOCTADECYLIMIDAZOLIDIN-2-ONE
CAS No: 94201-98-6 Catalog No: AG00668O MDL No:
Product Description
Catalog Number:
AG00668O
Chemical Name:
4,5-DIHYDROXY-1,3-DIOCTADECYLIMIDAZOLIDIN-2-ONE
CAS Number:
94201-98-6
Molecular Formula:
C39H78N2O3
Molecular Weight:
623.0482
IUPAC Name:
4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one
InChI:
InChI=1S/C39H78N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37(42)38(43)41(39(40)44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,42-43H,3-36H2,1-2H3
InChI Key:
SCNNOKZJJRXMQA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1C(O)C(N(C1=O)CCCCCCCCCCCCCCCCCC)O
EC Number:
303-689-9
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
622.601g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
623.064g/mol
Monoisotopic Mass:
622.601g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
16.1
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