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CAS No.: | 380339-27-5 |
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Name: | Benzofuro[3,2-d]pyrimidine, 4-(1-piperazinyl)- |
Molecular Structure: | |
Formula: | C14H14N4O |
Molecular Weight: | 254.2872 |
Synonyms: | 4-Piperazinylbenzo[d]pyrimidino[5,4-b]furan;4-(1-Piperazinyl)[1]benzofuro[3,2-d]pyrimidine; |
Density: | 1.302 g/cm3 |
Boiling Point: | 463.3 °C at 760 mmHg |
Flash Point: | 234 °C |
PSA: | 54.19000 |
LogP: | 2.17940 |
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The Benzofuro[3,2-d]pyrimidine, 4-(1-piperazinyl)-, with the CAS registry number 380339-27-5, is also known as 4-Piperazinylbenzo[d]pyrimidino[5,4-b]furan and 4-(1-Piperazinyl)[1]benzofuro[3,2-d]pyrimidine. This chemical's molecular formula is C14H14N4O and molecular weight is 254.2872. What's more, its systematic name is called 4-(Piperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine.
Physical properties about Benzofuro[3,2-d]pyrimidine, 4-(1-piperazinyl)- are: (1)ACD/LogP: 1.25; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.4 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 73.97 cm3; (9)Molar Volume: 195.2 cm3; (10)Polarizability: 29.32×10-24 cm3; (11)Surface Tension: 60.8 dyne/cm; (12)Density: 1.302 g/cm3; (13)Flash Point: 234 °C; (14)Enthalpy of Vaporization: 72.45 kJ/mol; (15)Boiling Point: 463.3 °C at 760 mmHg; (16)Vapour Pressure: 9.17E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c4c(oc1c(nc2)N3CCNCC3)cccc4
(2) InChI: InChI=1/C14H14N4O/c1-2-4-11-10(3-1)12-13(19-11)14(17-9-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2
(3) InChIKey: QWQBHCFTLXGCEJ-UHFFFAOYAS