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14992-59-7

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Basic Information
CAS No.: 14992-59-7
Name: Dibunate sodium
Molecular Structure:
Molecular Structure of 14992-59-7 (Dibunate sodium)
Formula: C18H23O3S.Na
Molecular Weight: 342.43
Synonyms: 1-Naphthalenesulfonicacid, 2,6-bis(1,1-dimethylethyl)-, sodium salt (9CI);1-Naphthalenesulfonicacid, 2,6-di-tert-butyl-, sodium salt (7CI,8CI);Becantal;Becantex;Dibunafon;Keuten;Linctussal;Sodium2,6-di-tert-butyl-1-naphthalenesulfonate;Sodium dibunate;
EINECS: 239-079-3
Appearance: White or almost white crystalline or semi crystalline powder, no smell
PSA: 65.58000
LogP: 5.41970
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Chemistry


IUPAC Name: Sodium 2,6-ditert-butylnaphthalene-1-sulfonate
Molecular Formula: C18H23NaO3S
Molecular Weight: 342.43 g/mol
Canonical SMILES: S(c1c(ccc2c1ccc(C(C)(C)C)c2)C(C)(C)C)([O-])(=O)=O.[Na+]
InChI: InChI=1/C18H24O3S.Na/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1
Mol File: 14992-59-7.mol
EINECS: 239-079-3
Classification Code: Antitussive
Product Categories: Organics
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 342.12656
Topological Polar Surface Area: 57.2
Heavy Atom Count: 23
Complexity: 496
Water Solubility: 7.50E+05 mg/L
Atmospheric OH Rate Constant of Dibunate sodium (CAS NO.14992-59-7): 1.32E-11 cm3/molecule-sec at 25 °C

Specification

 Dibunate sodium (CAS NO.14992-59-7), its Synonyms are Sodium 2,6-di-tert-butyl-1(or 3)-naphthalenesulfonate ; Sodium dibunate ; Becantex ; Bechisan ; Bekantil ; Dibunate de sodium ; Dibunato di sodio ; Natrium 2,6-di-tert-butyl-1(3)-naphthalinsulfonat . It is white or almost white crystalline or semi-crystalline powder.