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CAS No.: | 4261-67-0 |
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Name: | 3-Dimethylamino-2-methylpropyl chloride hydrochloride |
Molecular Structure: | |
Formula: | C6H14ClN.ClH |
Molecular Weight: | 172.098 |
Synonyms: | 1-Propanamine,3-chloro-N,N,2-trimethyl-, hydrochloride (9CI);Propylamine, 3-chloro-N,N,2-trimethyl-,hydrochloride (7CI,8CI);(g-Chloro-b-methylpropyl)dimethylamine-hydrochloride;1-Chloro-2-methyl-3-(N,N-dimethylamino)propane hydrochloride;1-Chloro-3-(dimethylamino)-2-methylpropane hydrochloride;2,N,N-Trimethylaminopropyl chloride hydrochloride;2-Methyl-3-(dimethylamino)propyl chloride hydrochloride; |
EINECS: | 224-237-6 |
Melting Point: | 169-173 °C |
Boiling Point: | 144.5 °C at 760 mmHg |
Flash Point: | 41.2 °C |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 3.24000 |
LogP: | 2.22490 |
2-methyl-3-dimethylaminopropanol
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
Conditions | Yield |
---|---|
With thionyl chloride In chloroform Reflux; Cooling with ice; |
10H-dipyrido[3,4-b:3',4'-e][1,4]thiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane for 5h; Heating; | 84% |
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
Conditions | Yield |
---|---|
Stage #1: 5H-dipyrido[2,3-b:4',3'-e][1,4]thiazine With sodium hydroxide In 1,4-dioxane for 2h; Reflux; Stage #2: 1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride In 1,4-dioxane for 24h; Reflux; | 82% |
6H-9-chloroquino[3,2-b]benzo[1,4]thiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
6-(3-dimethylamino-2-methylpropyl)-9-chloroquinobenzothiazine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane for 3h; Reflux; | 78% |
9-methylthio-6H-quinobenzothiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
6-(3-dimethylamino-2-methylpropyl)-9-methylthioquinobenzothiazine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane for 3h; Reflux; | 76% |
6H-quino[3,2-b]benzo[1,4]thiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
6-(3-dimethylamino-2-methylpropyl)quinobenzothiazine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane for 3h; Reflux; | 74% |
6H-9-fluoroquinobenzothiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide for 3h; Reflux; | 71% |
6H-diquino[3,2-b;2',3'-e][1,4]thiazine
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
6-(3'-dimethylamino-2'-methylpropyl)diquinothiazine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane for 3h; Heating; | 62% |
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
Conditions | Yield |
---|---|
With sodium azide In water at 80℃; for 15h; | 45% |
With sodium azide In water at 80℃; | 45% |
1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride
1-benzyl-3-hydroxy-1H-indazole
Conditions | Yield |
---|---|
Stage #1: 1-benzyl-3-hydroxy-1H-indazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride With sodium hydride In N,N-dimethyl-formamide at 100℃; for 12h; Further stages.; | 45% |
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The cas register number of 3-Dimethylamino-2-methylpropyl chloride hydrochloride is 4261-67-0. It also can be called as 3-Chloro-2-methylpropyl(dimethyl)ammonium chloride and the Systematic name about this chemical is [(2R)-3-chloro-2-methylpropyl]-dimethylazanium.
Physical properties about 3-Dimethylamino-2-methylpropyl chloride hydrochloride are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24Å2; (13)Flash Point: 41.2 °C; (14)Enthalpy of Vaporization: 38.16 kJ/mol; (15)Boiling Point: 144.5 °C at 760 mmHg; (16)Vapour Pressure: 5.07 mmHg at 25°C.
Uses of 3-Dimethylamino-2-methylpropyl chloride hydrochloride: It reacts to get (3-azido-2-methyl-propyl)-dimethyl-amine. This reaction needs solvent H2O. The reaction time is 15 hours. The yield is 45 %.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. People must wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
1.SMILES: Cl.ClCC(C)CN(C)C
2.InChI: InChI=1/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H
3.InChIKey: SOMIBONUMGNAEP-UHFFFAOYAF
4.Std. InChI: InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H