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| CAS No.: | 68695-48-7 |
|---|---|
| Name: | DI-TERT-BUTYLPHOSPHATE, TETRABUTYLAMMONIUM SALT |
| Molecular Structure: | |
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| Formula: | C24H54NO4P |
| Molecular Weight: | 451.671 |
| Synonyms: | Tetra-n-butylammonium Di-tert-butylphosphate; |
| PSA: | 68.40000 |
| LogP: | 8.15880 |
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- Total:37 Page 1 of 1 1
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Specification
The Di-tert-butylphosphate, tetrabutylammonium salt is an organic compound with the formula C24H54NO4P. The systematic name of this chemical is N,N,N-tributylbutan-1-aminium di-tert-butyl phosphate. With the CAS registry number 68695-48-7, it is also named as Tetra-n-butylammonium Di-tert-butylphosphate.
Physical properties about Di-tert-butylphosphate, tetrabutylammonium salt are: (1)ACD/BCF (pH 5.5): 2; (2)ACD/BCF (pH 7.4): 2; (3)ACD/KOC (pH 5.5): 70; (4)ACD/KOC (pH 7.4): 70; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 16; (8)Polar Surface Area: 68.4 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]P(=O)(OC(C)(C)C)OC(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1
(3)InChIKey: ZMBZPMVMLZIOPS-REWHXWOFAH
(4)Std. InChI: InChI=1S/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1
(5)Std. InChIKey: ZMBZPMVMLZIOPS-UHFFFAOYSA-M