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13039-27-5 | 1H-Imidazolium, 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)
CAS No: 13039-27-5 Catalog No: AG000UDA MDL No:
Product Description
Catalog Number:
AG000UDA
Chemical Name:
1H-Imidazolium, 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)
CAS Number:
13039-27-5
Molecular Formula:
C24H48N2NaO4
Molecular Weight:
451.6387
IUPAC Name:
sodium;2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
InChI:
InChI=1S/C24H46N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;/h27H,2-22H2,1H3;;1H2/q;+1;/p-1
InChI Key:
DEPFQLUZPKASPT-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O.[Na].[OH-]
EC Number:
235-906-7
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.343g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.64g/mol
Monoisotopic Mass:
450.343g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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