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Name |
1-Piperidinecarboxylicacid, 4-(2-pyrimidinyloxy)-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 412293-91-5 | Density | 1.161 g/cm3 |
PSA | 64.55000 | LogP | 2.19280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H21N3O3 | Boiling Point | 407.376 °C at 760 mmHg |
Molecular Weight | 279.339 | Flash Point | 200.174 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-tert-Butoxycarbonyl-4-(2-pyrimidinyloxy)piperidine;tert-Butyl 4-(pyrimidin-2-yloxy)piperidine-1-carboxylate; |
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