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CAS No.: | 5810-55-9 |
---|---|
Name: | 3-Acetamidopiperidine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H14N2O |
Molecular Weight: | 142.201 |
Synonyms: | Piperidine,3-acetamido- (7CI,8CI);3-(N-Acetylamino)piperidine;3-Acetamidopiperidine;3-Acetylaminopiperidine;N-(Piperidin-3-yl)acetamide; |
Density: | 1.02 g/cm3 |
Melting Point: | 81 °C |
Boiling Point: | 318.5 °C at 760 mmHg |
Flash Point: | 149.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 41.13000 |
LogP: | 0.59420 |
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The CAS register number of 3-Acetamidopiperidine is 5810-55-9. It also can be called as 3-Acetamidopiperidine and the systematic name about this chemical is N-piperidin-3-ylacetamide. The molecular formula about this chemical is C7H14N2O and the molecular weight is 142.2.
Physical properties about 3-Acetamidopiperidine are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -3.87; (3)ACD/LogD (pH 7.4): -3.05; (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: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 39.8 cm3; (14)Molar Volume: 139 cm3; (15)Polarizability: 15.78x10-24cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Enthalpy of Vaporization: 56 kJ/mol; (18)Boiling Point: 318.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000361 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-acetylamino-piperidine-1-carboxylic acid tert-butyl ester at ambient temperature. This reaction will need reagent trifluoroacetic acid . The reaction time is 40 min. The yield is about 72%.
Uses:Uses of 3-Acetamidopiperidine: it can be used to produce N-(1-benzyl-piperidin-3-yl)-acetamide with chloromethyl-benzene at ambient temperature. This reaction will need reagent NaHCO3 and solvent dimethylformamide with reaction time of 15 hours. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCCNC1)C
(2)InChI: InChI=1/C7H14N2O/c1-6(10)9-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3,(H,9,10)
(3)InChIKey: BCXSCZDWARFWAW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H14N2O/c1-6(10)9-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3,(H,9,10)
(5)Std. InChIKey: BCXSCZDWARFWAW-UHFFFAOYSA-N