CAS No.724790-59-4,1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	724790-59-4
Name:	1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester
Article Data:	17

Formula:	C₁₃H₂₃NO₄
Molecular Weight:	257.33
Synonyms:	4-(Methoxycarbonyl)-4-methylpiperidine-1-carboxylicacid tert-butyl ester;
Density:	1.068g/cm³
Boiling Point:	313.2 °C at 760 mmHg
Flash Point:	143.2 °C
PSA:	66.84000
LogP:	2.55920

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Specification

The 1-Boc-4-methylpiperidine-4-carboxylic acid methyl ester, with CAS registry number 724790-59-4, has the systematic name of 1,4-piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester. Besides this, it is also called 1-tert-Butyl 4-methyl 4-methylpiperidine-1,4-dicarboxylate. And the chemical formula of this chemical is C₁₃H₂₃NO_4.

Physical properties of 1-Boc-4-methylpiperidine-4-carboxylic acid methyl ester: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.16; (6)ACD/BCF (pH 7.4): 21.16; (7)ACD/KOC (pH 5.5): 309.34; (8)ACD/KOC (pH 7.4): 309.34; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 67 cm³; (15)Molar Volume: 240.7 cm³; (16)Polarizability: 26.56×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Enthalpy of Vaporization: 55.43 kJ/mol; (19)Vapour Pressure: 0.000504 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
(2)InChI: InChI=1/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-13(4,7-9-14)10(15)17-5/h6-9H2,1-5H3
(3)InChIKey: SNBGURLVYHVYEB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-13(4,7-9-14)10(15)17-5/h6-9H2,1-5H3
(5)Std. InChIKey: SNBGURLVYHVYEB-UHFFFAOYSA-N