CAS No.167423-93-0,1-TERT-BUTYL 2-METHYL PIPERIDINE-1,2-DICARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	167423-93-0
Name:	1-TERT-BUTYL 2-METHYL PIPERIDINE-1,2-DICARBOXYLATE

Formula:	C₁₂H₂₁NO₄
Molecular Weight:	243.30
Synonyms:	1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate;1-(1,1-Dimethylethyl) 2-ethyl (±)-1,2-Piperidinedicarboxylate;
Density:	1.094 g/cm³
Boiling Point:	307.415 °C at 760 mmHg
Flash Point:	139.72 °C
PSA:	55.84000
LogP:	1.88690

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Specification

The Methyl N-Boc-piperidine-2-carboxylate, with the CAS registry number 167423-93-0, is also known as 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate. This chemical's molecular formula is C₁₂H₂₁NO₄ and molecular weight is 243.30. What's more, its systematic name is 2-Methyl 1-(2-methyl-2-propanyl) 1,2-piperidinedicarboxylate.

Physical properties of Methyl N-Boc-piperidine-2-carboxylate are: (1)ACD/LogP: 1.587; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.47; (6)ACD/BCF (pH 7.4): 9.47; (7)ACD/KOC (pH 5.5): 173.96; (8)ACD/KOC (pH 7.4): 173.96; (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: 1.473; (14)Molar Refractivity: 62.39 cm³; (15)Molar Volume: 222.31 cm³; (16)Polarizability: 24.733×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.094 g/cm³; (19)Flash Point: 139.72 °C; (20)Enthalpy of Vaporization: 54.801 kJ/mol; (21)Boiling Point: 307.415 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(C(=O)OC)CCCC1
(2)Std. InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4/h9H,5-8H2,1-4H3
(3)Std. InChIKey: PVMJFJDVCVNWQN-UHFFFAOYSA-N