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CAS No.: | 50975-79-6 |
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Name: | 3,6-BIS(2-HYDROXYETHYL)-2,5-DIKETOPIPERAZINE |
Molecular Structure: | |
Formula: | C8H14N2O4 |
Molecular Weight: | 202.21 |
Synonyms: | 3,6-Bis(2-hydroxyethyl)-2,5-piperazinedione;3,6-Bis(2-hydroxyethyl)-2,5-diketopiperazine;3,6-bis-(2-Hydroxyethyl)-2,5-diketopiperazine (racemic mixture);3,6-Bis(2-hydroxyethyl)-2,5-diketopiperazine, 98 %; |
Density: | 1.25 g/cm3 |
Melting Point: | 188 °C |
Boiling Point: | 614.9 °C at 760 mmHg |
Flash Point: | 325.7 °C |
Appearance: | White crystals or crystalline powder |
PSA: | 98.66000 |
LogP: | -1.60800 |
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The CAS register number of 2,5-Piperazinedione,3,6-bis(2-hydroxyethyl)- is 50975-79-6. It also can be called as 3,6-Bis(2-hydroxyethyl)-2,5-diketopiperazine and the IUPAC name about this chemical is 3,6-bis(2-hydroxyethyl)piperazine-2,5-dione. The molecular formula about this chemical is C8H14N2O4 and the molecular weight is 202.21. You should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.
Physical properties about 2,5-Piperazinedione,3,6-bis(2-hydroxyethyl)- are: (1)ACD/LogP: -3.34; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 59.08 Å2; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 47.12 cm3; (12)Molar Volume: 161.6 cm3; (13)Polarizability: 18.68x10-24cm3; (14)Surface Tension: 44.5 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 325.7 °C; (17)Enthalpy of Vaporization: 104.62 kJ/mol; (18)Boiling Point: 614.9 °C at 760 mmHg; (19)Vapour Pressure: 1.08E-17 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(C(=O)NC1CCO)CCO
(2)InChI: InChI=1/C8H14N2O4/c11-3-1-5-7(13)10-6(2-4-12)8(14)9-5/h5-6,11-12H,1-4H2,(H,9,14)(H,10,13)
(3)InChIKey: YCISBBFTTVKSNK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H14N2O4/c11-3-1-5-7(13)10-6(2-4-12)8(14)9-5/h5-6,11-12H,1-4H2,(H,9,14)(H,10,13)
(5)Std. InChIKey: YCISBBFTTVKSNK-UHFFFAOYSA-N