2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate supplier

Name
2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate
EINECS
CAS No. 29334-13-2
Density
Solubility
Melting Point 187-197 °C
Formula C₉H₁₇NO^.C₇H₈O₃S
Boiling Point 205.6 °C at 760 mmHg
Molecular Weight 327.45
Flash Point 73.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tempidone;4-Piperidinone,2,2,6,6-tetramethyl-,4-methylbenzenesulfonate;2,2,6,6-Tetramethyl-4-piperidone p-toluenesulfonate;
PSA 91.85000
LogP 4.14740

2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate Specification

This chemical is called 2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate, and it can also be named as 4-Piperidinone, 2,2,6,6,-tetramethyl-, 4-methylbenzenesulfonate. With the molecular formula of C₉H₁₇NO^.C₇H₈O₃S, its molecular weight is 327.45. The CAS registry number of this chemical is 29334-13-2.

Other characteristics of the 2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.68; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Flash Point: 73.2 °C; (14)Enthalpy of Vaporization: 44.18 kJ/mol; (15)Boiling Point: 205.6 °C at 760 mmHg; (16)Vapour Pressure: 0.248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CC(NC(C)(C)C1)(C)C.O=S(=O)(O)c1ccc(cc1)C
2.InChI: InChI=1/C9H17NO.C7H8O3S/c1-8(2)5-7(11)6-9(3,4)10-8;1-6-2-4-7(5-3-6)11(8,9)10/h10H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)
3.InChIKey: IYLPVORUFDDDFK-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	780mg/kg (780mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Neuropharmacology. Vol. 11, Pg. 801, 1972. Link to PubMed
mouse	LD50	oral	2700mg/kg (2700mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Neuropharmacology. Vol. 11, Pg. 801, 1972. Link to PubMed

Product Name

2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate

2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate Specification

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