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Cas Database |
| Name |
3-Dimethylaminopropylchloride hydrochloride |
EINECS | 226-467-2 |
| CAS No. | 5407-04-5 | Density | N/A |
| PSA | 3.24000 | LogP | 1.97890 |
| Solubility | soluble in water | Melting Point |
187-190 °C(lit.) |
| Formula | C5H13Cl2N | Boiling Point | 130.7 °C at 760 mmHg |
| Molecular Weight | 158.071 | Flash Point | 32.8 °C |
| Transport Information | N/A | Appearance | white to yellowish crystalline powder |
| Safety | 26-61-37/39-36 | Risk Codes | 22-36/37/38-52/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Propylamine,3-chloro-N,N-dimethyl-, hydrochloride (7CI,8CI);(3-Chloropropyl)dimethylaminehydrochloride;(3-Chloropropyl)dimethylammonium chloride;1-Chloro-3-(dimethylamino)propane hydrochloride;1-Dimethylamino-3-chloropropane hydrochloride;3-(Dimethylamino)-1-chloropropane hydrochloride;3-(Dimethylamino)-1-propylchloride hydrochloride;3-Chloro-1-(N,N-dimethylamino)propane hydrochloride;3-Chloro-N,N-dimethylpropane-1-amine hydrochloride;N,N-Dimethyl-3-chloropropylamine hydrochloride;N-(3-Chloropropyl)dimethylamine hydrochloride; |
Article Data | 9 |
3-Dimethylaminopropylchloride hydrochloride Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In chloroform at 0℃; for 5h; Reflux; | 98% |
| With thionyl chloride In chloroform Reflux; Cooling with ice; | |
| With thionyl chloride In dichloromethane at 0 - 60℃; for 2h; |
- 124-40-3
dimethyl amine
- 107-05-1
3-chloroprop-1-ene
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| With diatomaceous earth In toluene at 45℃; for 10h; Reagent/catalyst; Temperature; Solvent; | 90% |
- 124-40-3
dimethyl amine
- 627-30-5
1-chloro-3-hydroxypropane
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: dimethyl amine; 1-chloro-3-hydroxypropane for 4h; Reflux; Stage #2: With thionyl chloride In tetrachloromethane at 20℃; for 4h; Cooling with ice; | 60.8% |
- 50-00-0
formaldehyd
- 6276-54-6
3-chloropropylamine hydrochloride
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| With formic acid for 30h; Heating; | 30% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 132461-45-1
3,5-Dimethyl-11H-10,11-diaza-benzo[b]fluorene
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In sodium hydroxide; toluene Heating; | 100% |
- 14982-15-1
3-benzyloxyestra-1,3,5(10)-trien-17β-ol
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 144-55-8
sodium hydrogencarbonate
| Conditions | Yield |
|---|---|
| With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide; mineral oil | 100% |
- 487-89-8
Indole-3-carboxaldehyde
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 169120-64-3
1-(3-dimethylaminopropyl)-1H-indole-3-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: Indole-3-carboxaldehyde With caesium carbonate; potassium iodide In acetonitrile at 0℃; for 0.166667h; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In acetonitrile at 0℃; for 18h; Reflux; | 100% |
| Stage #1: Indole-3-carboxaldehyde With caesium carbonate; potassium iodide In acetonitrile at 0℃; Inert atmosphere; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In acetonitrile at 83℃; for 28h; Inert atmosphere; | 89% |
| With caesium carbonate In ethanol for 16h; Reflux; | 42% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2,4,7‑trifluoro‑9H‑carbazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.166667h; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In N,N-dimethyl-formamide; mineral oil at 50℃; for 2.5h; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 90℃; Inert atmosphere; Schlenk technique; | 100% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 66715-60-4
3-iodo-N,N-dimethylpropylamine
| Conditions | Yield |
|---|---|
| Stage #1: 3-(dimethylamino)propyl chloride hydrochloride With sodium iodide In cyclohexane; water at 80℃; for 3h; Inert atmosphere; Stage #2: With sodium hydroxide In cyclohexane; water at 0 - 10℃; Solvent; | 99.8% |
3-Dimethylaminopropylchloride hydrochloride Chemical Properties
Molecule structure of 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5):
IUPAC Name: 3-Chloro-N,N-dimethylpropan-1-amine hydrochloride
Molecular Formula: C5H13Cl2N
Formula Weight: 158.07 g/mol
Melting Point: 187-190 °C(lit.)
Flash Point: 32.8 °C
Boiling Point: 130.7 °C at 760 mmHg
Vapour Pressure: 9.61 mmHg at 25 °C
Water Solubility: soluble
Sensitive: hygroscopic
Appearence: white to yellowish crystalline powder
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Exact Mass: 157.042505
MonoIsotopic Mass: 157.042505
Topological Polar Surface Area: 3.2
Heavy Atom Count: 8
Canonical SMILES: CN(C)CCCCl.Cl
InChI: InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
EINECS: 224-971-7
Classification Code: Mutation data; Tumor data
3-Dimethylaminopropylchloride hydrochloride Uses
1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5) is used as intermediate for the syntheses of pharmaceuticals (e.g. cyclobenzaprine, imipramine, benzydamine, amitriptyline and bencyclane).
3-Dimethylaminopropylchloride hydrochloride Production
Put dimethylamine and propylene alcohol into the reaction tank, in the presence of sodium hydroxide, synthesizing at the temperature of 130-150 °C and under pressure of 127.5-147.1kPa, 1-dimethylamino-C-3-ol is obtained by reversed flow for 24h. Then use thionyl chloride to chlorination, 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) is synthesized at the temperature of 55-90 °C for 9-10h.
3-Dimethylaminopropylchloride hydrochloride Toxicity Data With Reference
| 1. | mic-sat 10 mg/L | ENMUDM Environmental Mutagenesis. 3 (1981),33. |
3-Dimethylaminopropylchloride hydrochloride Consensus Reports
Reported in EPA TSCA Inventory.
3-Dimethylaminopropylchloride hydrochloride Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 22-36/37/38-52/53
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-61-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: TY1225000
F: 3
Hazard Note: Irritant
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
3-Dimethylaminopropylchloride hydrochloride Specification
1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5) is also named as 1-Chloro-3-(dimethylamino)propane hydrochloride ; 3-(Dimethylamino)-1-propyl chloride hydrochloride ; 3-(Dimethylamino)chloropropane hydrochloride ; 3-(Dimethylamino)propyl chloride hydrochloride ; 3-Chloro-N',N'-dimethylaminopropane hydrochloride ; 3-Chloro-N,N-dimethyl-1-propanamine hydrochloride ; 3-Chloro-N,N-dimethyl-1-propylamine hydrochloride ; 3-Chloro-N,N-dimethylpropylamine hydrochloride ; AI3-26681 ; CCRIS 7054 ; Dimethylaminopropyl chloride, hydrochloride ; N,N-Dimethyl-3-chloropropylamine hydrochloride ; NSC 5368 .
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