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

Name
1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
EINECS
CAS No. 910037-25-1
Density 1.431 g/cm³
Solubility
Melting Point 247.5-249°C
Formula C₁₂H₁₃N₃O₂S
Boiling Point 500.8 °C at 760 mmHg
Molecular Weight 263.31552
Flash Point 256.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid 97%;4-Carboxy-1-(thieno[3,2-d]pyrimidin-4-yl)piperidine, 4-(4-Carboxypiperidin-1-yl)thieno[3,2-d]pyrimidine
PSA 94.56000
LogP 2.05730

4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl- Specification

The 4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-, with CAS registry number 910037-25-1, has the systematic name of 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid. This chemical is harmful. And the chemical formula of this chemical is C₁₂H₁₃N₃O₂S.

Physical properties of 4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 94.56 Å²; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 69.58 cm³; (9)Molar Volume: 183.9 cm³; (10)Polarizability: 27.58×10^-24cm³; (11)Surface Tension: 75.2 dyne/cm; (12)Density: 1.431 g/cm³; (13)Flash Point: 256.7 °C; (14)Enthalpy of Vaporization: 81.03 kJ/mol; (15)Boiling Point: 500.8 °C at 760 mmHg; (16)Vapour Pressure: 7.54E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csc2c1ncnc2N3CCC(CC3)C(=O)O
(2)InChI: InChI=1/C12H13N3O2S/c16-12(17)8-1-4-15(5-2-8)11-10-9(3-6-18-10)13-7-14-11/h3,6-8H,1-2,4-5H2,(H,16,17)
(3)InChIKey: VWNHOIKUCNKRDY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H13N3O2S/c16-12(17)8-1-4-15(5-2-8)11-10-9(3-6-18-10)13-7-14-11/h3,6-8H,1-2,4-5H2,(H,16,17)
(5)Std. InChIKey: VWNHOIKUCNKRDY-UHFFFAOYSA-N

Product Name

1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl- Specification

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