Product Name

  • Name

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

  • EINECS
  • CAS No. 916766-91-1
  • Density 1.386g/cm3
  • Solubility
  • Melting Point 94-95°C
  • Formula C12H13N3OS
  • Boiling Point 432.8 °C at 760 mmHg
  • Molecular Weight 247.31612
  • Flash Point 215.5 °C
  • Transport Information
  • Appearance
  • Safety 26-45
  • Risk Codes 25-36
  • Molecular Structure Molecular Structure of 916766-91-1 (1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxaldehyde)
  • Hazard Symbols T
  • Synonyms 1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxaldehyde;1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxaldehyde 97%;1-THIENO[3,2-D]PYRIMIDIN-4-YLPIPERIDINE-4-CARBALDEHYDE;4-Formyl-1-(thieno[3,2-d]pyrimidin-4-yl)piperidine, 4-(4-Formylpiperidin-1-yl)thieno[3,2-d]pyrimidine
  • PSA 74.33000
  • LogP 2.17160

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

The 4-Piperidinecarboxaldehyde,1-thieno[3,2-d]pyrimidin-4-yl-, with CAS registry number 916766-91-1, has the systematic name of 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carbaldehyde. This chemical is harmful. And the chemical formula of this chemical is C12H13N3OS.

Physical properties of 4-Piperidinecarboxaldehyde,1-thieno[3,2-d]pyrimidin-4-yl-: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.97; (4)#H bond acceptors: 4; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 74.33 Å2; (8)Index of Refraction: 1.715; (9)Molar Refractivity: 70.08 cm3; (10)Molar Volume: 178.3 cm3; (11)Polarizability: 27.78×10-24cm3; (12)Surface Tension: 77.2 dyne/cm; (13)Density: 1.386 g/cm3; (14)Flash Point: 215.5 °C; (15)Enthalpy of Vaporization: 68.86 kJ/mol; (16)Boiling Point: 432.8 °C at 760 mmHg; (17)Vapour Pressure: 1.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csc2c1ncnc2N3CCC(CC3)C=O
(2)InChI: InChI=1/C12H13N3OS/c16-7-9-1-4-15(5-2-9)12-11-10(3-6-17-11)13-8-14-12/h3,6-9H,1-2,4-5H2
(3)InChIKey: YGMBYHWGCCTCNN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H13N3OS/c16-7-9-1-4-15(5-2-9)12-11-10(3-6-17-11)13-8-14-12/h3,6-9H,1-2,4-5H2
(5)Std. InChIKey: YGMBYHWGCCTCNN-UHFFFAOYSA-N

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