Product Name

  • Name

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

  • EINECS
  • CAS No. 912569-69-8
  • Density 1.311g/cm3
  • Solubility
  • Melting Point 99-100.5
  • Formula C12H14ClN3S
  • Boiling Point 433.2 °C at 760 mmHg
  • Molecular Weight 267.77766
  • Flash Point 215.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 912569-69-8 (4-[4-(Chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine)
  • Hazard Symbols
  • Synonyms 4-[4-(Chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine;4-[4-(chloromethyl)piperidino]thieno[3,2-d]pyrimidine;4-[4-(Chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine 97%;4-(Chloromethyl)-1-(thieno[3,2-d]pyrimidin-4-yl)piperidine
  • PSA 57.26000
  • LogP 3.21150

Thieno[3,2-d]pyrimidine,4-[4-(chloromethyl)-1-piperidinyl]- Specification

The Thieno[3,2-d]pyrimidine,4-[4-(chloromethyl)-1-piperidinyl]-, with CAS registry number 912569-69-8, has the systematic name of 4-[4-(chloromethyl)-1-piperidyl]thieno[3,2-d]pyrimidine. This chemical is harmful. And the chemical formula of this chemical is C12H14ClN3S.

Physical properties of Thieno[3,2-d]pyrimidine,4-[4-(chloromethyl)-1-piperidinyl]-: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 2.35; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 57.26 Å2; (9)Index of Refraction: 1.634; (10)Molar Refractivity: 73.02 cm3; (11)Molar Volume: 204.1 cm3; (12)Polarizability: 28.94×10-24cm3; (13)Surface Tension: 56 dyne/cm; (14)Density: 1.311 g/cm3; (15)Flash Point: 215.8 °C; (16)Enthalpy of Vaporization: 68.92 kJ/mol; (17)Boiling Point: 433.2 °C at 760 mmHg; (18)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csc2c1ncnc2N3CCC(CC3)CCl
(2)InChI: InChI=1/C12H14ClN3S/c13-7-9-1-4-16(5-2-9)12-11-10(3-6-17-11)14-8-15-12/h3,6,8-9H,1-2,4-5,7H2
(3)InChIKey: FWDQRROENFHLAI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H14ClN3S/c13-7-9-1-4-16(5-2-9)12-11-10(3-6-17-11)14-8-15-12/h3,6,8-9H,1-2,4-5,7H2
(5)Std. InChIKey: FWDQRROENFHLAI-UHFFFAOYSA-N

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