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| CAS No.: | 10549-76-5 |
|---|---|
| Name: | TETRABUTYL AMMONIUM BROMIDE |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C16H36BrN |
| Molecular Weight: | 242.469 |
| Synonyms: | Tetrabutyl ammonium bromide;N,N,N-Tributylbutan-1-aminium bromide;1-Butanaminium, N,N,N-tributyl-, bromide; |
| EINECS: | 216-699-2 |
| Melting Point: | 100-104℃ |
| Solubility: | 600 g/L (20℃) |
| Appearance: | powder |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 0.00000 |
| LogP: | 5.00360 |
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Specification
The Tetrabutylammonium, with the CAS registry number 10549-76-5, is also known as N,N,N-Tributylbutan-1-aminium bromide. This chemical's molecular formula is C16H36BrN and molecular weight is 242.46. What's more, its IUPAC name is Tetrabutylazanium. Its classification codes are Detergents; Surface-Active Agents.
Physical properties of Tetrabutylammonium are: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC
(2)InChI: InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
(3)InChIKey: DZLFLBLQUQXARW-UHFFFAOYSA-N