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| CAS No.: | 3204-68-0 |
|---|---|
| Name: | BENZYLDIMETHYLPHENYLAMMONIUM CHLORIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C15H18ClN |
| Molecular Weight: | 247.768 |
| Synonyms: | Ammonium,benzyldimethylphenyl-, chloride (8CI);Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (9CI);Benzyldimethylphenylammonium chloride(6CI,7CI);Benzyldimethylanilinium chloride;Dimethylbenzylanilinium chloride;Dimethylphenylbenzylammonium chloride;Leucotrope O;Leukotrope;N-Benzyl-N,N-dimethylanilinium chloride;Phenyldimethylbenzylammonium chloride; |
| EINECS: | 221-707-2 |
| Melting Point: | 134-138 °C |
| Solubility: | almost transparency |
| Appearance: | White to off-white or ivory powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 0.45770 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| In diethyl ether for 72h; Ambient temperature; | 15% |
- 3204-68-0
benzyldimethylphenylammonium chloride
| Conditions | Yield |
|---|---|
| With sodium ethanolate In xylene for 5h; Substitution; Heating; | 88% |
- 26864-21-1
5'-O-benzylpyridoxine
- 3204-68-0
benzyldimethylphenylammonium chloride
- 25183-10-2
3,5'-O-dibenzylpyridoxine
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 0.333333h; Ambient temperature; | 83% |
| With sodium methylate In methanol |
- 22902-67-6
5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one
- 3204-68-0
benzyldimethylphenylammonium chloride
- 1073560-80-1
1,3-dibenzyl-5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 7h; Heating; | 80% |
- 3204-68-0
benzyldimethylphenylammonium chloride
- 280762-56-3
4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-3-pyridinol
- 280762-57-4
(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-4-pyridinyl)methanol
| Conditions | Yield |
|---|---|
| Stage #1: benzyldimethylphenylammonium chloride With sodium ethanolate In ethanol at -78℃; for 0.333333h; Substitution; Stage #2: 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-3-pyridinol In xylene for 4h; Etherification; Heating; | 74% |
- 93-84-5
5-nitro-2,3-dihydro-1H-benzimidazol-2-one
- 3204-68-0
benzyldimethylphenylammonium chloride
- 55327-66-7
1,3-dibenzyl-5-nitro-1,3-dihydrobenzimidazol-2-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20℃; for 7h; Reflux; | 57% |
- 3204-68-0
benzyldimethylphenylammonium chloride
- 252987-06-7
4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol
- 252987-07-8
(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-4-pyridinyl)methanol
| Conditions | Yield |
|---|---|
| Stage #1: benzyldimethylphenylammonium chloride With sodium ethanolate In ethanol at -78℃; Substitution; Stage #2: 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol In xylene Etherification; Heating; | 30% |
| Stage #1: benzyldimethylphenylammonium chloride; 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol With sodium ethanolate In ethanol at -78℃; Addition; Stage #2: In xylene for 4h; Decomposition; Heating; |
- 109-00-2
3-HYDROXYPYRIDINE
- 3204-68-0
benzyldimethylphenylammonium chloride
- 76509-17-6
3-benzyloxypyridine
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate; xylene unter Stickstoff; |
- 100-02-7
4-nitro-phenol
- 3204-68-0
benzyldimethylphenylammonium chloride
- 1145-76-2
benzyl 4-nitrophenyl ether
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
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Specification
The Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1), with the CAS registry number 3204-68-0 and EINECS registry number 221-707-2, has the systematic name of N-benzyl-N,N-dimethylanilinium chloride. And the molecular formula of this chemical is C15H18ClN. It is a kind of white to off-white or ivory powder, and belongs to the following product categories: Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds.
The physical properties of Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1) are as following: (1)ACD/LogP: -1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.74; (8)ACD/KOC (pH 7.4): 5.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2.
Uses of Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1): It can react with 5-benzyloxymethyl-4-hydroxymethyl-2-methyl-pyridin-3-ol to produce (3-benzyloxy-5-benzyloxymethyl-2-methyl-pyridin-4-yl)-methanol. This reaction will need reagent NaOMe, and the solvent methanol. The reaction time is 2 minutes with ambient temperature, and the yield is about 83%.
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You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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: [Cl-].c1ccccc1[N+](C)(C)Cc2ccccc2
(2)InChI: InChI=1/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: QLRKASHXFNIPLZ-REWHXWOFAW