2-Chloropropyldimethylamine hydrochloride
Basic information
- CAS
4584-49-0- Standard SMILES
CC(Cl)CN(C)C.Cl- InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N- Molecular formula
- C5H12ClN.ClH
- Average molar mass
- 158.07 g/mol
- Monoisotopic mass
- 157.0425048
Overview
2-chloro-n,n-dimethyl-1-propanamine hydrochloride is an off-white chunky solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Chloropropyldimethylamine hydrochloride
- IUPAC
- 2-chloro-N,N-dimethylpropan-1-amine;hydrochloride
- English name
- 2-Dimethylaminoisopropyl chloride hydrochloride
- Molecular formula
- C5H13Cl2N
- Molecular weight
- 158.07
Names & synonyms
4584-49-02-chloropropyldimethylamine hydrochlorideDTXSID3024780(2-Chloropropyl)dimethylamine hydrochloride2-Chloro-N,N-dimethyl-1-propanamine hydrochlorideNSC 53532AO9WB15SNZAI3-26684NSC 53671-Propanamine, 2-chloro-N,N-dimethyl-, hydrochlorideEINECS 224-971-7NSC-5367
Show more names
DMIC2-DMPC2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCLN,N-Dimethyl-2-chloropropylamine hydrochloride2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDE2-CHLORO-N,N-DIMETHYLPROPYLAMINE HYDROCHLORIDE1-(DIMETHYLAMINO)-2-CHLOROPROPANE HYDROCHLORIDEB-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE2-DMPC 99%DMIC 99%min
UNII-AO9WB15SNZNSC-53532DTXCID2047801-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)1-dimethylamino-2-propyl chloride hydrochloride2Chloropropyldimethylammonium chloride1-DIMETHYLAMINOPROPAN-2-YL CHLORIDE HYDROCHLORIDE2ChloroN,Ndimethylpropylamine hydrochloride
Database identifiers
- CAS
4584-49-0- PubChem CID
- 94294
- DTXSID
DTXSID3024780- UNII
- AO9WB15SNZ
- EC Number
- 224-971-7
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 45.3
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines
Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Melting Point381 to 383 °F (NTP, 1992)
Physical Description
2-chloro-n,n-dimethyl-1-propanamine hydrochloride is an off-white chunky solid. (NTP, 1992)
Off-white hygroscopic solid; [CAMEO] White to light cream hygroscopic powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 187 · 187-190 °C(lit.)
- bulk density
- 350 kg/m3 · 350kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2000 g/l · 2000g/l
- form
- Crystalline Powder
- color
- White to light cream
- PH
- 5 · 5-6 (500g/l, H2O, 20℃)
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (17.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 2-chloropropyldimethylammonium chloride (EC: 224-971-7)
1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
Hazards SummaryCauses somnolence in subcutaneous lethal-dose studies of mice (LD50 = 200 mg/kg); [RTECS] An irritant; [Acros Organics MSDS] See N,N-Dimethylaminoethyl chloride hydrochloride.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
2-CHLORO-N,N-DIMETHYL-1-PROPANAMINE HYDROCHLORIDE is incompatible with strong oxidizing agents. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1): ACTIVE
Applications
Uses2-Chloro-N,N-dimethylpropylamine hydrochloride (DMIC) is used as intermediate for the syntheses of pharmaceuticals (e.g. isothipendyl, methadone and promethazine)
UsesHydrochloride salt of 2-Dimethylaminoisopropyl Chloride, used in the synthesis of analogues of lipophilic chalcones, which act as antitubercular agents.
General DescriptionOff-white chunky solid.
Upstream & downstream products
Upstream raw materials
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