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149-39-3 | Ethanesulfonic acid, 2-[methyl(1-oxooctadecyl)amino]-, sodium salt (1:1)
CAS No: 149-39-3 Catalog No: AG001LC8 MDL No:
Product Description
Catalog Number:
AG001LC8
Chemical Name:
Ethanesulfonic acid, 2-[methyl(1-oxooctadecyl)amino]-, sodium salt (1:1)
CAS Number:
149-39-3
Molecular Formula:
C21H42NNaO4S
Molecular Weight:
427.6173
IUPAC Name:
sodium;2-[methyl(octadecanoyl)amino]ethanesulfonate
InChI:
InChI=1S/C21H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1
InChI Key:
UKSFMDODPANKJI-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C.[Na+]
EC Number:
205-738-9
UNII:
JFM219LJ55
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.273g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.62g/mol
Monoisotopic Mass:
427.273g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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