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1 Gram |
Negotiable |
Benzenesulfonic acid,3-(dimethylamino)-, sodium salt (1:1) 5437-65-0 98%
【Name】
Benzenesulfonic acid,3-(dimethylamino)-, sodium salt (1:1)
【Iupac name】
sodium 3-(dimethylamino)benzenesulfonic acid
【CAS Registry number】
5437-65-0
【Synonyms】
Benzenesulfonicacid, 3-(dimethylamino)-, sodium salt (9CI)
Metanilic acid, N,N-dimethyl-, sodiumsalt (8CI)
Sodium 3-(dimethylamino)benzenesulfonate
Sodiumm-(dimethylamino)benzenesulfonate
【Molecular Formula】
C8H11 N O3 S . Na (Products with the same molecular formula)
【Molecular Weight】
201.2428
【Inchi】
InChI=1/C8H11NO3S/c1-9(2)7-4-3-5-8(6-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)
【Canonical SMILES】
CN(C)C1=CC(=CC=C1)S(=O)(=O)O.[Na+]
Chemical and Physical Properties
【Density】
1.339g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.583
【Flash Point】
°C
【Computed Properties】
Molecular Weight:224.23261 [g/mol]
Molecular Formula:C8H11NNaO3S+
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:224.035734
MonoIsotopic Mass:224.035734
Topological Polar Surface Area:66
Heavy Atom Count:14
Formal Charge:1
Complexity:255
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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