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

Name
4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
EINECS
CAS No. 910037-26-2
Density 1.31g/cm³
Solubility
Melting Point 126-128.5°C
Formula C₁₂H₁₅N₃OS
Boiling Point 444.9 °C at 760 mmHg
Molecular Weight 249.332
Flash Point 222.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms (1-Thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methanol;4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine;4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine 97%;[1-(Thieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methanol 97%;4-(Hydroxymethyl)-1-(thieno[3,2-d]pyrimidin-4-yl)piperidine, 4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PSA 77.49000
LogP 1.96500

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

The 4-Piperidinemethanol,1-thieno[3,2-d]pyrimidin-4-yl-, with CAS registry number 910037-26-2, has the systematic name of (1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methanol. Besides this, it is also called 4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine. And the chemical formula of this chemical is C₁₂H₁₅N₃OS.

Physical properties of 4-Piperidinemethanol,1-thieno[3,2-d]pyrimidin-4-yl-: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.79; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 77.49 Å²; (8)Index of Refraction: 1.653; (9)Molar Refractivity: 69.7 cm³; (10)Molar Volume: 190.3 cm3; (11)Polarizability: 27.63×10^-24cm³; (12)Surface Tension: 63.2 dyne/cm; (13)Density: 1.31 g/cm³; (14)Flash Point: 222.8 °C; (15)Enthalpy of Vaporization: 74.06 kJ/mol; (16)Boiling Point: 444.9 °C at 760 mmHg; (17)Vapour Pressure: 1.07E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csc2c1ncnc2N3CCC(CC3)CO
(2)InChI: InChI=1/C12H15N3OS/c16-7-9-1-4-15(5-2-9)12-11-10(3-6-17-11)13-8-14-12/h3,6,8-9,16H,1-2,4-5,7H2
(3)InChIKey: UXMVQNYPOJJGNA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H15N3OS/c16-7-9-1-4-15(5-2-9)12-11-10(3-6-17-11)13-8-14-12/h3,6,8-9,16H,1-2,4-5,7H2
(5)Std. InChIKey: UXMVQNYPOJJGNA-UHFFFAOYSA-N

Product Name

4-[4-(Hydroxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine

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

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