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CAS No.: | 23616-79-7 |
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Name: | Benzyltributylammonium chloride |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H34N·Cl |
Molecular Weight: | 311.939 |
Synonyms: | Ammonium,benzyltributyl-, chloride (8CI);Benzenemethanaminium, N,N,N-tributyl-,chloride (9CI);Benzyltrin-butylammoniumchloride;N,N,N-Tributyl-N-benzylammonium chloride;Tributylbenzylammonium chloride;N-Benzyl-N,N-dibutyl-1-butanaminium chloride; |
EINECS: | 245-787-3 |
Density: | 0.9523 (rough estimate) |
Melting Point: | 155-163 °C(lit.) |
Boiling Point: | 466.93°C (rough estimate) |
Solubility: | soluble in water |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn,Xi,C |
Risk Codes: | 22-36/37/38-34 |
Safety: | 26-45-36/37/39 |
Transport Information: | UN 3263 8/PG 2 |
PSA: | 0.00000 |
LogP: | 2.40770 |
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The Benzenemethanaminium,N,N,N-tributyl-, chloride (1:1), with the CAS registry number 23616-79-7, is also known as N,N,N-Tributyl-N-benzylammonium chloride. It belongs to the product categories of Pharmaceutical Intermediates; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. Its EINECS number is 245-787-3. This chemical's molecular formula is C19H34N·Cl and molecular weight is 311.93. What's more, its systematic name is N-Benzyl-N,N-dibutyl-1-butanaminium chloride. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of Benzenemethanaminium,N,N,N-tributyl-, chloride (1:1) are: (1)ACD/LogP: -0.991; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.89; (8)ACD/KOC (pH 7.4): 6.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1ccccc1C[N+](CCCC)(CCCC)CCCC
(2)Std. InChI: InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
(3)Std. InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M