CAS No.412293-91-5,4-(PYRIMIDIN-2-YLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	412293-91-5
Name:	4-(PYRIMIDIN-2-YLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Formula:	C₁₄H₂₁N₃O₃
Molecular Weight:	279.339
Synonyms:	1-tert-Butoxycarbonyl-4-(2-pyrimidinyloxy)piperidine;tert-Butyl 4-(pyrimidin-2-yloxy)piperidine-1-carboxylate;
Density:	1.161 g/cm³
Boiling Point:	407.376 °C at 760 mmHg
Flash Point:	200.174 °C
PSA:	64.55000
LogP:	2.19280

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Specification

The 1-Piperidinecarboxylicacid, 4-(2-pyrimidinyloxy)-, 1,1-dimethylethyl ester, with the CAS registry number 139239-49-9, is also known as 1-tert-Butoxycarbonyl-4-(2-pyrimidinyloxy)piperidine. This chemical's molecular formula is C₁₄H₂₁N₃O₃ and molecular weight is 279.33484. What's more, its IUPAC name and systematic name are the same which is called tert-Butyl 4-(pyrimidin-2-yloxy)piperidine-1-carboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 4-(2-pyrimidinyloxy)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 166; (8)ACD/KOC (pH 7.4): 166; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.55 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 73.918 cm³; (15)Molar Volume: 240.631 cm³; (16)Surface Tension: 47.686 dyne/cm; (17)Density: 1.161 g/cm³; (18)Flash Point: 200.174 °C; (19)Enthalpy of Vaporization: 65.925 kJ/mol; (20)Boiling Point: 407.376 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncccn2
(2) InChI: InChI=1/C14H21N3O3/c1-14(2,3)20-13(18)17-9-5-11(6-10-17)19-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3
(3) InChIKey: PVRXZBXZDBAHGQ-UHFFFAOYAO