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| CAS No.: | 85702-84-7 |
|---|---|
| Name: | Tricholine borate |
| Molecular Structure: | |
 |
|
| Formula: | C15H42BN3O6 |
| Molecular Weight: | 371.32148 |
| Synonyms: | Einecs 288-276-0; |
| EINECS: | 288-276-0 |
| PSA: | 129.87000 |
| LogP: | -1.68250 |
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Specification
The Tricholine borate, with the CAS registry number 85702-84-7, is also known as Einecs 288-276-0. Its EINECS registry number is 288-276-0. This chemical's molecular formula is C15H42BN3O6 and molecular weight is 371.32148. What's more, its systematic name is called tris(2-Hydroxy-N,N,N-trimethylethanaminium) borate.
Physical properties about Tricholine borate are: (1) # of Rule of 5 Violations: 1; (2) #H bond acceptors: 9; (3) #H bond donors: 6; (4) #Freely Rotating Bonds: 12; (5) Polar Surface Area: 129.87 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC[N+](C)(C)C.C[N+](C)(C)CCO.[O-]B([O-])[O-].C[N+](C)(C)CCO
(2) InChI: InChI=1/3C5H14NO.BO3/c3*1-6(2,3)4-5-7;2-1(3)4/h3*7H,4-5H2,1-3H3;/q3*+1;-3
(3) InChIKey: IIAYWPDIEYSHQG-UHFFFAOYAM