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| Name |
4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, ethyl ester |
EINECS | N/A |
| CAS No. | 910037-27-3 | Density | 1.29 g/cm3 |
| PSA | 83.56000 | LogP | 2.53580 |
| Solubility | N/A | Melting Point |
64-66°C |
| Formula | C14H17N3O2S | Boiling Point | 441.7 °C at 760 mmHg |
| Molecular Weight | 291.36868 | Flash Point | 220.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Ethyl 1-(thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate |
4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, ethyl ester Specification
The 4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, ethyl ester, with CAS registry number 910037-27-3, has the systematic name of ethyl 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylate. And the chemical formula of this chemical is C14H17N3O2S.
Physical properties of 4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, ethyl ester: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 1.84; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 83.56 Å2; (9)Index of Refraction: 1.617; (10)Molar Refractivity: 79.06 cm3; (11)Molar Volume: 225.8 cm3; (12)Polarizability: 31.34×10-24cm3; (13)Surface Tension: 58.7 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 220.9 °C; (16)Enthalpy of Vaporization: 69.9 kJ/mol; (17)Boiling Point: 441.7 °C at 760 mmHg; (18)Vapour Pressure: 5.35E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1CCN(CC1)c2c3c(ccs3)ncn2
(2)InChI: InChI=1/C14H17N3O2S/c1-2-19-14(18)10-3-6-17(7-4-10)13-12-11(5-8-20-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3
(3)InChIKey: CBEGYEOZJHWLKV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H17N3O2S/c1-2-19-14(18)10-3-6-17(7-4-10)13-12-11(5-8-20-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3
(5)Std. InChIKey: CBEGYEOZJHWLKV-UHFFFAOYSA-N
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