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439858-37-4

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Basic Information
CAS No.: 439858-37-4
Name: 1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine
Molecular Structure:
Molecular Structure of 439858-37-4 (1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine)
Formula: C13H23NO4
Molecular Weight: 257.33
Synonyms: Methyl 1-(acetyloxy)-2,2,6,6-tetramethylpiperidine-4-carboxylate;4-Piperidinecarboxylic acid, 1-(acetyloxy)-2,2,6,6-tetramethyl-, methyl ester;1-Acetoxy-2,2,6,6-tetramethyl-piperidine-4-carboxylic acid methyl ester;
Density: 1.07 g/cm3
Boiling Point: 296.3 °C at 760 mmHg
Flash Point: 133 °C
Appearance: Yellow crystalline solid
PSA: 55.84000
LogP: 1.84460
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  • 1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine

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    1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The 1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine with CAS registry number of 439858-37-4 is also known as 4-Piperidinecarboxylic acid, 1-(acetyloxy)-2,2,6,6-tetramethyl-, methyl ester. The systematic name is Methyl 1-(acetyloxy)-2,2,6,6-tetramethylpiperidine-4-carboxylate. It belongs to product categories of Spin Labeling Compounds. In addition, the formula is C13H23NO4 and the molecular weight is 257.33. This chemical is a yellow crystalline solid and it is used as an acyl-protected hydroxylamine.

Physical properties about 1-Acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 18.38; (5)ACD/BCF (pH 7.4): 18.38; (6)ACD/KOC (pH 5.5): 279.7; (7)ACD/KOC (pH 7.4): 279.7; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 67.77 cm3; (12)Molar Volume: 239 cm3; (13)Surface Tension: 36.8 dyne/cm; (14)Density: 1.07 g/cm3; (15)Flash Point: 133 °C; (16)Enthalpy of Vaporization: 53.6 kJ/mol; (17)Boiling Point: 296.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(ON1C(CC(C(=O)OC)CC1(C)C)(C)C)C
2. InChI: InChI=1/C13H23NO4/c1-9(15)18-14-12(2,3)7-10(11(16)17-6)8-13(14,4)5/h10H,7-8H2,1-6H3
3. InChIKey: CEOYQDAGXCYAQM-UHFFFAOYAR
4. Std. InChI: InChI=1S/C13H23NO4/c1-9(15)18-14-12(2,3)7-10(11(16)17-6)8-13(14,4)5/h10H,7-8H2,1-6H3
5. Std. InChIKey: CEOYQDAGXCYAQM-UHFFFAOYSA-N