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  • Diethylammonium salicylate
Name:Diethylammonium salicylate
CAS No:4419-92-5

PRODUCT DESCRIPTION

【Name】
Diethylammonium salicylate
【CAS Registry number】
4419-92-5
【Synonyms】
Diethylamine salicylate
Algesal
diethylazanium
2-hydroxybenzoate
【EINECS(EC#)】
224-586-4
【Molecular Formula】
C11H17NO3 (Products with the same molecular formula)
【Molecular Weight】
211.2576
【Inchi】
InChI=1/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
【Canonical SMILES】
CC[NH2+]CC.C1=CC=C(C(=C1)C(=O)[O-])O
【Isomers smiles】
CC[NH2+]CC.C1=CC=C(C(=C1)C(=O)[O-])O
【MOL File】
4419-92-5.mol

Chemical and Physical Properties

【Density】
g/cm3
【Melting Point】
99-102℃
【Boiling Point】
336.3°Cat760mmHg
【Flash Point】
144.5°C
【Computed Properties】
Molecular Weight:211.25758 [g/mol]
Molecular Formula:C11H17NO3
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:211.120843
MonoIsotopic Mass:211.120843
Topological Polar Surface Area:77
Heavy Atom Count:15
Formal Charge:0
Complexity:138
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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