Tetra-n-butylammonium Di-tert-butylphosphate - CAS 68695-48-7
Catalog: |
BB033612 |
Product Name: |
Tetra-n-butylammonium Di-tert-butylphosphate |
CAS: |
68695-48-7 |
Synonyms: |
ditert-butyl phosphate;tetrabutylammonium; ditert-butyl phosphate;tetrabutylazanium |
IUPAC Name: | ditert-butyl phosphate;tetrabutylazanium |
Description: | Tetra-n-butylammonium Di-tert-butylphosphate (CAS# 68695-48-7) is a useful research chemical compound. |
Molecular Weight: | 451.66 |
Molecular Formula: | C24H54NO4P |
Canonical SMILES: | CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OP(=O)([O-])OC(C)(C)C |
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 |
InChI Key: | ZMBZPMVMLZIOPS-UHFFFAOYSA-M |
Appearance: | Solid |
MDL: | MFCD12198885 |
LogP: | 8.15880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021009212-A1 | Antibacterial quinolone derivatives | 20190716 |
WO-2020259675-A1 | Neurokinin-1 antagonist | 20190628 |
WO-2020227337-A1 | Prodrug compounds | 20190507 |
TW-202028173-A | Prodrug modulators of the integrated stress pathway | 20181011 |
CN-113423685-A | Prodrug modulators of integrated stress pathways | 20181011 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 451.3790462 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 451.3790462 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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