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| CAS No.: | 5845-67-0 |
|---|---|
| Name: | CYCLO(-LEU-GLY) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H14N2O2 |
| Molecular Weight: | 170.211 |
| Synonyms: | 2,5-Piperazinedione,3-(2-methylpropyl)-, (S)-;2,5-Piperazinedione, 3-isobutyl-, L- (8CI);Cyclo(glycyl-L-leucyl) (8CI);Cyclo(L-leucylglycine);Cyclo(L-leucylglycyl);L-Leucylglycine diketopiperazine; |
| Density: | 1.047 g/cm3 |
| Melting Point: | 255℃ |
| Boiling Point: | 442.9 °C at 760 mmHg |
| Flash Point: | 207.4 °C |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 58.20000 |
| LogP: | 0.30470 |
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- Total:27 Page 1 of 1 1
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Specification
The 2,5-Piperazinedione,3-(2-methylpropyl)-, (3S)-, with the CAS registry number 5845-67-0, is also known as L-Leucylglycine diketopiperazine. This chemical's molecular formula is C8H14N2O2 and molecular weight is 170.21. What's more, its systematic name is (3S)-3-(2-methylpropyl)piperazine-2,5-dione.
Physical properties of 2,5-Piperazinedione,3-(2-methylpropyl)-, (3S)- are: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10.41; (6)ACD/KOC (pH 7.4): 10.41; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 43.95 cm3; (13)Molar Volume: 162.4 cm3; (14)Polarizability: 17.42×10-24cm3; (15)Surface Tension: 31 dyne/cm; (16)Density: 1.047 g/cm3; (17)Flash Point: 207.4 °C; (18)Enthalpy of Vaporization: 70.04 kJ/mol; (19)Boiling Point: 442.9 °C at 760 mmHg; (20)Vapour Pressure: 4.84E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCC(=O)N[C@H]1CC(C)C
(2)InChI: InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
(3)InChIKey: VQFHWKRNHGHZTK-LURJTMIESA-N