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73772-32-4 | 1-Propanesulfonic acid,3-[[3-(dimethylamino)propyl][(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-2-hydroxy-,sodium salt (1:1)
CAS No: 73772-32-4 Catalog No: AG005BDA MDL No:
Product Description
Catalog Number:
AG005BDA
Chemical Name:
1-Propanesulfonic acid,3-[[3-(dimethylamino)propyl][(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-2-hydroxy-,sodium salt (1:1)
CAS Number:
73772-32-4
Molecular Formula:
C14H18F13N2NaO6S2
Molecular Weight:
644.4015
IUPAC Name:
sodium;3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]-2-hydroxypropane-1-sulfonate
InChI:
InChI=1S/C14H19F13N2O6S2.Na/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h8,30H,3-7H2,1-2H3,(H,31,32,33);/q;+1/p-1
InChI Key:
NPPLFZIZNHHMEY-UHFFFAOYSA-M
SMILES:
CN(CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)[O-])O)C.[Na+]
EC Number:
277-592-4
Properties
Complexity:
996
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
644.03g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
644.395g/mol
Monoisotopic Mass:
644.03g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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