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Home > Imidazoles > 97158-48-0
97158-48-0 | SODIUM 3-[2-[4,5-DIHYDRO-2-(15-METHYLHEXADECYL)-1H-IMIDAZOL-1-YL]ETHOXY]PROPIONATE
CAS No: 97158-48-0 Catalog No: AG005RZI MDL No:
Product Description
Catalog Number:
AG005RZI
Chemical Name:
SODIUM 3-[2-[4,5-DIHYDRO-2-(15-METHYLHEXADECYL)-1H-IMIDAZOL-1-YL]ETHOXY]PROPIONATE
CAS Number:
97158-48-0
Molecular Formula:
C25H47N2NaO3
Molecular Weight:
446.6420
IUPAC Name:
sodium;3-[2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethoxy]propanoate
InChI:
InChI=1S/C25H48N2O3.Na/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-26-18-19-27(24)20-22-30-21-17-25(28)29;/h23H,3-22H2,1-2H3,(H,28,29);/q;+1/p-1
InChI Key:
FSCRJUUIABKBCD-UHFFFAOYSA-M
SMILES:
CC(CCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-])C.[Na+]
EC Number:
306-378-6
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.348g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.652g/mol
Monoisotopic Mass:
446.348g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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