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28832-11-3 | 1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-, acetate (1:1)
CAS No: 28832-11-3 Catalog No: AG002WPN MDL No:
Product Description
Catalog Number:
AG002WPN
Chemical Name:
1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-, acetate (1:1)
CAS Number:
28832-11-3
Molecular Formula:
C24H48N2O3
Molecular Weight:
412.6495
IUPAC Name:
acetic acid;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
InChI:
InChI=1S/C22H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h25H,2-21H2,1H3;1H3,(H,3,4)
InChI Key:
KFLYRIQQUDKDNM-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCCCC1=NCCN1CCO
EC Number:
249-263-5
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.366g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.659g/mol
Monoisotopic Mass:
412.366g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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