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CAS No.: | 36177-92-1 |
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Name: | N-BUTYL TRIACETONEDIAMINE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C13H28N2 |
Molecular Weight: | 212.379 |
Synonyms: | 2,2,6,6-Tetramethyl-4-(butylamino)piperidine;4-(Butylamino)-2,2,6,6-tetramethylpiperidine;4-N-Butylamino-2,2,6,6-tetramethylpiperidine;Butyl-(2,2,6,6-tetramethylpiperidin-4-yl)-amine;N-(2,2,6,6-Tetramethyl-4-piperidinyl)butylamine;N-(2,2,6,6-Tetramethyl-4-piperidyl)butanamine;N-Butyl-2,2,6,6-tetramethyl-4-piperidinamine;N-Butyl-2,2,6,6-tetramethyl-4-piperidineamine; |
EINECS: | 252-899-6 |
Density: | 0.87 g/cm3 |
Boiling Point: | 249.7 °C at 760 mmHg |
Flash Point: | 97 °C |
Solubility: | 797.5g/L at 20℃ |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 24.06000 |
LogP: | 3.40500 |
2,2,6,6-Tetramethyl-4-piperidone
N-butylamine
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
Pt on carbon In water | 98% |
With hydrogen at 100℃; under 6750.68 Torr; for 5h; Pressure; Temperature; Autoclave; | 97.4% |
Stage #1: 2,2,6,6-Tetramethyl-4-piperidone; N-butylamine With acetic acid at 25℃; for 12h; Stage #2: With methanol; sodium tetrahydroborate for 8h; Temperature; Reagent/catalyst; | 95.2% |
4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE
butyraldehyde
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
With hydrogen In toluene at 60 - 120℃; under 7500.75 Torr; for 5h; Reagent/catalyst; Autoclave; | 15% |
2,2,6,6-Tetramethyl-4-piperidone
N-butylamine
A
4-hydroxy-2,2,6,6-tetramethylpiperidine
B
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
With hydrogen In 1,4-dioxane at 120℃; under 30003 Torr; |
2,2,6,6-Tetramethyl-4-piperidone
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: ethanol / Reflux 2: 5%-palladium/activated carbon; hydrogen / cyclohexane / 4 h / 60 - 120 °C / 11251.1 Torr / Autoclave View Scheme |
butyl-(2,2,6,6-tetramethyl-piperidin-4-ylidene)-amine
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen In cyclohexane at 60 - 120℃; under 11251.1 Torr; for 4h; Autoclave; |
1,3,5-trichloro-2,4,6-triazine
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
With sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene at 60℃; for 12h; Reagent/catalyst; Solvent; Temperature; Cooling with ice; | 98.3% |
With sodium carbonate In toluene at 80℃; for 3h; Product distribution / selectivity; | |
With sodium carbonate In toluene at 80℃; for 3h; Product distribution / selectivity; | |
Stage #1: 1,3,5-trichloro-2,4,6-triazine; 4-n-butylamino-2,2,6,6-tetramethylpiperidine In xylene at 20℃; for 0.5h; Stage #2: With sodium hydroxide In water; xylene at 20 - 95℃; for 2h; | |
With potassium hydroxide In water; toluene at 20 - 45℃; Reagent/catalyst; Solvent; |
formaldehyd
4-n-butylamino-2,2,6,6-tetramethylpiperidine
butyl-methyl-(1,2,2,6,6-pentamethyl-piperidin-4-yl)-amine
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen In methanol; water at 80 - 140℃; under 15001.5 - 31503.2 Torr; Solvent; Autoclave; | 93.7% |
4-n-butylamino-2,2,6,6-tetramethylpiperidine
formamide
N-butyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)formamide
Conditions | Yield |
---|---|
With acetic acid; boric acid In xylene for 6h; Inert atmosphere; Reflux; | 92% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; xylene Reflux; | 90.9% |
chloroform
2,6-di-tert-butylphenol
cyclohexanone
4-n-butylamino-2,2,6,6-tetramethylpiperidine
Conditions | Yield |
---|---|
With sodium hydroxide at 10℃; | 85% |
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The 4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl-, with the CAS registry number 36177-92-1, has the IUPAC name N-butyl-2,2,6,6-tetramethylpiperidin-4-amine. Its molecular formula is C13H28N2 and its molecular weight is 212.37. Additionally, its classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].
Other characteristics of the 4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl- can be summarised as followings: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -0.56; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 67.48 cm3; (15)Molar Volume: 241.4 cm3; (16)Polarizability: 26.75×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.87 g/cm3; (19)Flash Point: 97 °C; (20)Enthalpy of Vaporization: 48.69 kJ/mol; (21)Boiling Point: 249.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0226 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N(C1CC(NC(C)(C)C1)(C)C)CCCC
2.InChI: InChI=1/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3
3.InChIKey: FDAKZQLBIFPGSV-UHFFFAOYAH