3-Dimethylaminopropylchloride hydrochloride

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

 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).

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.

Reported in EPA TSCA Inventory.

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 NO_x and Cl⁻.

 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 .