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Reference substances

Reference substances

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General information

Inventory

EC number:
269-537-8
EC name:
(2-hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate
CAS number:
68298-05-5

No inventory information available

Reference substance information

IUPAC name:
1-hydroxy-2-methylpropan-2-aminium 4-methylbenzene-1-sulfonate
Synonyms
Names:
1-Propanol, 2-amino-2-methyl-, 4-methylbenzenesulfonate (salt)
1-hydroxy-2-methylpropan-2-aminium 4-methylbenzenesulfonate

CAS information

CAS number:
68298-05-5

Molecular and structural information

Molecular formula:
C7H8O3S.C4H11NO
Molecular weight:
261.338
SMILES notation:
Cc1ccc(cc1)S(=O)(=O)[O-].CC(C)([NH3+])CO
InChl:
InChI=1/C7H8O3S.C4H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(2,5)3-6/h2-5H,1H3,(H,8,9,10);6H,3,5H2,1-2H3
Structural formula:
Chemical structure