4-Piperidinone,1-butyl- supplier

Name
1-BUTYL-4-PIPERIDONE
EINECS 245-420-7
CAS No. 23081-86-9
Article Data13
CAS DataBase
Density 0.943 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO
Boiling Point 240 °C at 760 mmHg
Molecular Weight 155.24
Flash Point 92.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butyl-4-piperidinone;
PSA 20.31000
LogP 1.38930

4-Piperidinone,1-butyl- Specification

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

Product Name

1-BUTYL-4-PIPERIDONE

4-Piperidinone,1-butyl- Specification

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