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53611-44-2

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Basic Information
CAS No.: 53611-44-2
Name: 6-Ethyl-2-piperidinone
Article Data: 9
Molecular Structure:
Molecular Structure of 53611-44-2 (6-Ethyl-2-piperidinone)
Formula: C7H13NO
Molecular Weight: 127.186
Synonyms: 6-Aethyl-piperidin-2-on;Purine,6-(ethylthio)-7-methyl;6-Aethylmercapto-7-methyl-7H-purin;6-ethylpiperidin-2-one;6-Ethylmercapto-7-methylpurine;6-ethylmercapto-7-methyl-7H-purine;Purine,6-(ethylthio)-7-methyl-(8CI);7H-Purine,6-(ethylthio)-7-methyl;
Density: 0.931 g/cm3
Boiling Point: 266.531 °C at 760 mmHg
Flash Point: 148.864 °C
PSA: 29.10000
LogP: 1.39390
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Specification

The CAS registry number of 6-Ethyl-2-piperidinone is 53611-44-2. Its molecular formula is C7H13NO and molecular weight is 127.18422. Its systematic name is called 6-ethylpiperidin-2-one.

Physical properties about 6-Ethyl-2-piperidinone are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 35.864 cm3; (14)Molar Volume: 136.557 cm3; (15)Surface Tension: 27.301 dyne/cm; (16)Density: 0.931 g/cm3; (17)Flash Point: 148.864 °C; (18)Enthalpy of Vaporization: 50.451 kJ/mol; (19)Boiling Point: 266.531 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC(CC)N1
(2)InChI: InChI=1/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
(3)InChIKey: PAHMYIHLZQRVHU-UHFFFAOYAR