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Name |
1-Pyrrolidinyloxy,3-[[[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethyl]amino]carbonyl]-2,2,5,5-tetramethyl- |
EINECS | N/A |
CAS No. | 68407-07-8 | Density | 1.211g/cm3 |
PSA | 82.44000 | LogP | 0.98490 |
Solubility | N/A | Melting Point |
95-98 °C(lit.) |
Formula | C17H26N3O5 | Boiling Point | 567.3 °C at 760 mmHg |
Molecular Weight | 352.41 | Flash Point | 296.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-[2-(2-MALEIMIDOETHOXY)ETHYLCARBAMOYL]-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY;3-[2-(2-MALEIMIDOETHOXY)ETHYLCARBAMOYL]-PROXYL;3-(2-(2-MALEIMIDOETHOXY)ETHYLCARBAMOYL)- PROXYL, FREE RADICAL;3-([(2-[2-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)ethoxy]ethyl)amino]carbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy;3-[2-(2-Maleimidoethoxy)ethylcarbamoyl]-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, free radical, 3-([(2-[2-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethyl)amino]carbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy |
This chemical is called 1-Pyrrolidinyloxy,3-[[[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethyl]amino]carbonyl]-2,2,5,5-tetramethyl-, and its systematic name is [3-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl}carbamoyl)-2,2,5,5-tetramethylpyrrolidin-1-yl]oxidanyl. With the molecular formula of C17H26N3O5, its molecular weight is 352.41. The CAS registry number of the chemical is 68407-07-8.
Other characteristics of 1-Pyrrolidinyloxy,3-[[[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethyl]amino]carbonyl]-2,2,5,5-tetramethyl- can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.73; (5)ACD/KOC (pH 7.4): 14.4; (6)#H bond acceptors: 8; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 78.95 Å2; (10)Flash Point: 296.9 °C; (11)Enthalpy of Vaporization: 93.08 kJ/mol; (12)Boiling Point: 567.3 °C at 760 mmHg; (13)Vapour Pressure: 2.36E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC1(CC(C(N1[O])(C)C)C(=O)NCCOCCN2C(=O)C=CC2=O)C
2.InChI: InChI=1/C17H26N3O5/c1-16(2)11-12(17(3,4)20(16)24)15(23)18-7-9-25-10-8-19-13(21)5-6-14(19)22/h5-6,12H,7-11H2,1-4H3,(H,18,23)
3.InChIKey: USNUHDLTUGBQNN-UHFFFAOYAN
4.Std. InChI: InChI=1S/C17H26N3O5/c1-16(2)11-12(17(3,4)20(16)24)15(23)18-7-9-25-10-8-19-13(21)5-6-14(19)22/h5-6,12H,7-11H2,1-4H3,(H,18,23)
5.Std. InChIKey: USNUHDLTUGBQNN-UHFFFAOYSA-N