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CAS No.: | 5197-87-5 |
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Name: | Benzyltripropylammonium chloride |
Molecular Structure: | |
Formula: | C16H28ClN |
Molecular Weight: | 269.858 |
Synonyms: | PhCH2NPr3Cl;benzyl(tripropyl)azanium chloride;N-Benzyl-N,N-dipropylpropan-1-aminium chloride;tripropylbenzylammonium chloride;Tripropyl-benzyl-ammonium;benzyltri-n-propylammonium chloride;Benzyltripropylammonium chloride;benzyltripropylammonium chloride;n-benzyl-n,n-dipropylpropan-1-aminium chloride; |
Melting Point: | -180 °C (dec.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
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The Benzyltripropylammonium chloride is an organic compound with the formula C16H28ClN. The systematic name of this chemical is N-benzyl-N,N-dipropylpropan-1-aminium chloride. With the CAS registry number 5197-87-5, it is also named as Benzyltri-n-propylammonium chloride. The product's categories are Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts.Besides, it should be stored in a dark, cool, dry place.
Physical properties about Benzyltripropylammonium chloride are: (1)ACD/LogP: -1.69; (2)ACD/LogD (pH 5.5): -1.69; (3)ACD/LogD (pH 7.4): -1.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.89; (7)ACD/KOC (pH 7.4): 2.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 8.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1ccccc1C[N+](CCC)(CCC)CCCCopyCopied ; (2)InChI: InChI=1/C16H28N.ClH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: YTRIOKYQEVFKGU-REWHXWOFAT
(4)Std. InChI: InChI=1S/C16H28N.ClH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: YTRIOKYQEVFKGU-UHFFFAOYSA-M