Ethanone,1-(4-methyl-1-piperidinyl)- supplier

Name
1-acetyl-4-methylpiperidine
EINECS 224-984-8
CAS No. 4593-17-3
Article Data4
CAS DataBase
Density 0.949 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO
Boiling Point 239.2 °C at 760 mmHg
Molecular Weight 141.213
Flash Point 101.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pipecoline,1-acetyl- (7CI,8CI);Piperidine, 1-acetyl-4-methyl- (9CI);1-Acetyl-4-methylpiperidine;1-Acetyl-4-pipecoline;4-Methyl-N-acetylpiperidine;
PSA 20.31000
LogP 1.20270

Ethanone,1-(4-methyl-1-piperidinyl)- Specification

The Ethanone,1-(4-methyl-1-piperidinyl)-, with the CAS registry number 4593-17-3, is also known as 3-Acetyl-5-hydroxy-2-methylbenzofuran. Its EINECS registry number is 224-984-8. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.2108. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Methylpiperidin-1-yl)ethanone.

Physical properties about Ethanone,1-(4-methyl-1-piperidinyl)-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.17; (8)ACD/KOC (pH 7.4): 110.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 40.53 cm³; (15)Molar Volume: 148.7 cm³; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.949 g/cm³; (18)Flash Point: 101.3 °C; (19)Enthalpy of Vaporization: 47.61 kJ/mol; (20)Boiling Point: 239.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0406 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCC(C)CC1)C
(2) InChI: InChI=1/C8H15NO/c1-7-3-5-9(6-4-7)8(2)10/h7H,3-6H2,1-2H3
(3) InChIKey: DWPMJTVAEDBIES-UHFFFAOYAU

Product Name

1-acetyl-4-methylpiperidine

Ethanone,1-(4-methyl-1-piperidinyl)- Specification

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