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| CAS No.: | 329-97-5 |
|---|---|
| Name: | Benzyltrimethylammonium fluoride |
| Molecular Structure: | |
|
|
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| Formula: | C10H16FN |
| Molecular Weight: | 169.242 |
| Synonyms: | Benzenemethanaminium,N,N,N-trimethyl-, fluoride (9CI);Benzyltrimethylammonium fluoride (6CI,7CI); |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | -1.10320 |
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Specification
This chemical is called Benzyltrimethylammonium fluoride, and it can also be named as N,N,N-Trimethyl(phenyl)methanaminium fluoride. With the molecular formula of C10H16FN, its molecular weight is 169.24. The CAS registry number of this chemical is 329-97-5.
Other characteristics of the Benzyltrimethylammonium fluoride can be summarised as followings: (1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [F-].C[N+](C)(C)Cc1ccccc1
2.InChI: InChI=1/C10H16N.FH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
3.InChIKey: KFSZGBHNIHLIAA-REWHXWOFAM