Tetrabutylammonium hydrogen sulfate
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Basic Info
| FADB-China ID | C0513 |
| Substance Name | Sanitizer |
| Substance Chinese Name | 消毒剂 |
| Molecular Name | Tetrabutylammonium hydrogen sulfate |
| Molecular Chinese Name | 四丁基硫酸氢铵 |
| 2D Structure | |
| CAS Number | 32503-27-8 |
| PubChem CID | 94433 |
| Formula | C16H37NO4S |
| IUPAC Name | Hydrogen sulfate;tetrabutylazanium |
| InChI Key | SHFJWMWCIHQNCP-UHFFFAOYSA-M |
| InChI | InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 |
| Canonical SMILES | CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-] |
| Isomeric SMILES | CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-] |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Sterilization |
| Molecular Synonyms |
32503-27-8
Tetrabutylammonium hydrogen sulfate
Tetrabutylammonium hydrogensulfate
Tetrabutylammonium bisulfate
TBAHS
Tetrabutylammonium hydrogen sulphate
Tetrabutylammonium sulfate (1:1)
1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)
Tetrabutylazanium hydrogen sulfate
Tetra-n-Butylammonium hydrogen sulfate
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| Data Uploader | MinQing Cai |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 339.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Complexity | 192 |
| Monoisotopic Mass | 339.24432985 |
| Exact Mass | 339.24432985 |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
Related Foods
| FADB-China ID | F0143 |
| Food Image |  |
| Food Name | Infant formula milk powder |
| Food Chinese Name | 婴幼儿配方乳粉 |
| Food Type | Processed food |
| References | 液相色谱-串联质谱法测定婴幼儿配方乳粉中六种消毒剂残留 |