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CAS No.: | 23081-86-9 |
---|---|
Name: | 1-BUTYL-4-PIPERIDONE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C9H17NO |
Molecular Weight: | 155.24 |
Synonyms: | 1-Butyl-4-piperidinone; |
EINECS: | 245-420-7 |
Density: | 0.943 g/cm3 |
Boiling Point: | 240 °C at 760 mmHg |
Flash Point: | 92.1 °C |
PSA: | 20.31000 |
LogP: | 1.38930 |
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The 4-Piperidinone,1-butyl-, with the CAS registry number of 23081-86-9, is also known as 1-Butyl-4-piperidinone. It belongs to the product categories of Amines; Blocks. Its EINECS registry number is 245-420-7. This chemical's molecular formula is C9H17NO and molecular weight is 155.24. What's more, its IUPAC name is 1-Butylpiperidin-4-one.
Physical properties about the 4-Piperidinone,1-butyl- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): 0.47; (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): 18.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 45.34 cm3; (15)Molar Volume: 164.5 cm3; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 0.943 g/cm3; (18)Flash Point: 92.1 °C; (19)Enthalpy of Vaporization: 47.69 kJ/mol; (20)Boiling Point: 240 °C at 760 mmHg; (21)Vapour Pressure: 0.0389 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 1-Butyl-4-(2-carbomethoxypyrrolidino)-3-piperideine. This reaction needs reagent Anhydrous magnesium sulfate. The yield is about 95 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCN(CCCC)CC1
(2) InChI: InChI=1/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3
(3) InChIKey: OCNWYKFGWLGNHZ-UHFFFAOYAB