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4045-31-2

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Basic Information
CAS No.: 4045-31-2
Name: 4-Ethyl-4-methylpiperidine
Molecular Structure:
Molecular Structure of 4045-31-2 (4-Ethyl-4-methylpiperidine)
Formula: C8H17N
Molecular Weight: 127.23
Synonyms: piperidine, 4-ethyl-4-methyl-;
Density: 0.802 g/cm3
Boiling Point: 154.4 °C at 760 mmHg
Flash Point: 37.6 °C
PSA: 12.03000
LogP: 2.11490
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Specification

The 4-Ethyl-4-methylpiperidine, with the CAS registry number 4045-31-2, is also known as piperidine, 4-ethyl-4-methyl-.It belongs to the product categorie of Classes of Piperidine. This chemical's molecular formula is C8H17N and molecular weight is 127.23. What's more, its IUPAC name is 4-ethyl-4-methylpiperidine.

Physical properties of 4-Ethyl-4-methylpiperidine are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03Å2; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 40.34 cm3; (13)Molar Volume: 158.4 cm3; (14)Polarizability: 15.99×10-24cm3; (15)Surface Tension: 26.8 dyne/cm; (16)Density: 0.802 g/cm3; (17)Flash Point: 37.6 °C; (18)Enthalpy of Vaporization: 39.11 kJ/mol; (19)Boiling Point: 154.4 °C at 760 mmHg; (20)Vapour Pressure: 3.19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CC)CCNCC1
(2)Std. InChI: InChI=1S/C8H17N/c1-3-8(2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
(3)Std. InChIKey: FMPQITXSSWLMDT-UHFFFAOYSA-N