1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) supplier

Name
(2-hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate
EINECS 233-066-6
CAS No. 10026-99-0
Density
Solubility
Melting Point
Formula C₁₃H₂₃NO₄S
Boiling Point 448.3 °C at 760 mmHg
Molecular Weight 289.39102
Flash Point 224.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (salt);1-Propanol,2-(dimethylamino)-2-methyl-,4- methylbenzenesulfonate (salt);2-Dimethylamino-2-methyl-1-propanol, p-toluenesulfonate (salt);2-dimethylamino-2-methyl-propan-1-ol; 4-methylbenzenesulfonic acid;(2-Hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate;2-Dimethylamino-2-methylpropanol p-toluenesulfonate;
PSA 86.22000
LogP 2.64140

1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) Specification

The 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) is an organic compound with the formula C₁₃H₂₃NO₄S. The IUPAC name of this chemical is 2-(dimethylamino)-2-methylpropan-1-ol; 4-methylbenzenesulfonic acid. With the CAS registry number 10026-99-0, it is also named as 1-Hydroxy-N,N,2-trimethylpropan-2-aminium 4-methylbenzenesulfonate.

Physical properties about 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -2.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.75 Å²; (12)Flash Point: 224.9 °C; (13)Enthalpy of Vaporization: 74.49 kJ/mol; (14)Boiling Point: 448.3 °C at 760 mmHg; (15)Vapour Pressure: 8.01E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)C.OCC(N(C)C)(C)C
(2)InChI: InChI=1/C7H8O3S.C6H15NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,5-8)7(3)4/h2-5H,1H3,(H,8,9,10);8H,5H2,1-4H3
(3)InChIKey: JZFUBSFZOGZENZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H8O3S.C6H15NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,5-8)7(3)4/h2-5H,1H3,(H,8,9,10);8H,5H2,1-4H3
(5)Std. InChIKey: JZFUBSFZOGZENZ-UHFFFAOYSA-N

Product Name

(2-hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate

1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) Specification

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