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Cas no 654636-62-1 (3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide)
654636-62-1 structure
Product Name:3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide
CAS No:654636-62-1
MF:C17H36NO6P
MW:381.444606781006
CID:399203
PubChem ID:11407008
Update Time:2025-04-19
3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide
- DTXSID20889197
- 3,7-Dioxa-4-aza-6-phosphanonanoic acid, 4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide
- SCHEMBL521891
- 2-methyl-2-[N-t-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)aminoxy]propionic acid
- 654636-62-1
-
- Inchi： 1S/C17H36NO6P/c1-11-22-25(21,23-12-2)13(15(3,4)5)18(16(6,7)8)24-17(9,10)14(19)20/h13H,11-12H2,1-10H3,(H,19,20)
- InChI Key： LHCFAZQDKKRUDE-UHFFFAOYSA-N
- SMILES： P(C(C(C)(C)C)N(C(C)(C)C)OC(C(=O)O)(C)C)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 381.22802487g/mol
- Monoisotopic Mass: 381.22802487g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 11
- Complexity: 482
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 85.3?2
3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Ethanol ; rt; 4 h, 20 °C
1.2 -
1.2 -
Reference
3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide Raw materials
3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide Preparation Products
3,7-Dioxa-4-aza-6-phosphanonanoic acid,4,5-bis(1,1-dimethylethyl)-6-ethoxy-2,2-dimethyl-, 6-oxide Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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