4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, ethyl ester supplier

Name
Ethyl 1-(thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
EINECS
CAS No. 910037-27-3
Density 1.29 g/cm³
Solubility
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
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Ethyl 1-(thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
PSA 83.56000
LogP 2.53580

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

Product Name

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

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