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Home > Imidazoles > 7003-75-0
7003-75-0 | 2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-1-ium-1-yl]ethanolate
CAS No: 7003-75-0 Catalog No: AG005GBJ MDL No:
Product Description
Catalog Number:
AG005GBJ
Chemical Name:
2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-1-ium-1-yl]ethanolate
CAS Number:
7003-75-0
Molecular Formula:
C24H48N2O2
Molecular Weight:
396.6501
IUPAC Name:
prop-2-enyl dodecanoate
InChI:
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h4H,2-3,5-14H2,1H3
InChI Key:
ZQMAPKVSTSACQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC[O-])CCO
NSC Number:
20977
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Synthesis of allyl esters of fatty acids and their ovicidal effect on Cydia pomonella (L.). | Journal of agricultural and food chemistry 20090610 |
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