Basic information
- CAS
5407-04-5- Standard SMILES
CN(C)CCCCl.Cl- InChIKey
LJQNMDZRCXJETK-UHFFFAOYSA-N- Molecular formula
- C5H12ClN.ClH
- Average molar mass
- 158.07 g/mol
- Monoisotopic mass
- 157.04250478
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl chloride hydrochloride
- IUPAC
- 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
- English name
- 3-(Dimethylamino)propyl chloride hydrochloride
- Molecular formula
- C5H13Cl2N
- Molecular weight
- 158.07
Names & synonyms
5407-04-53-(Dimethylamino)propyl chloride hydrochlorideDimethylaminopropyl chloride hydrochlorideDTXSID50222274031FU3Q6GNSC-5368DTXCID0022271-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1)RefChem:588503226-467-23-Dimethylaminopropylchloride hydrochloride3-chloro-N,N-dimethylpropan-1-amine hydrochloride
Show more names
DMPC2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCL3-Dimethylaminopropylmagnesium chloride2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDEB-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE1-(DIMETHYLAMINO)-2-CHLOROPROPANE HYDROCHLORIDE2-DMPC
3-Dimethylaminopropyl chloride hydrochloride1281-00-13-Chloro-N,N-dimethylpropylamine hydrochlorideN,N-Dimethyl-3-chloropropylamine hydrochloride(3-chloropropyl)dimethylamine hydrochlorideMFCD000125211-Chloro-3-(dimethylamino)propane hydrochlorideDimethylaminopropyl chloride, hydrochloride
Database identifiers
- CAS
5407-04-5- PubChem CID
- 94308
- DTXSID
DTXSID5022227- ChEMBL
CHEMBL1362069- UNII
- 4031FU3Q6G
- EC Number
- 226-467-2
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.1
Physicochemical properties
- Melting point
- 187 · 187-190 °C(lit.)
- Boiling point
- 50 °C · 50 °C(Press: 40 Torr)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 2000 g/l · 2000g/l
- form
- Solid
- color
- White to Off-White
- PH
- 5 · 5-6 (500g/l, H2O, 20℃)
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- BRN
- 3670046 · 3670046
- InChI
- InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
- InChIKey
- LJQNMDZRCXJETK-UHFFFAOYSA-N
- SMILES
- C(CCCl)N(C)C.Cl
- CAS DataBase Reference
- 5407 · 5407-04-5(CAS DataBase Reference)
- FDA UNII
- 4031 FU3Q6G · 4031FU3Q6G
- EPA Substance Registry System
- 3 · 3-Chloro-N,N-dimethyl-1-propanamine hydrochloride (5407-04-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38-52/53
- Safety Statements
- 26 · 26-61-37/39-36
- WGK Germany
- 3 · 3
- RTECS
- 1225000 · TY1225000
- F
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29211990 · 29211990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride
Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11744
3-Chlorodimethylpropylamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TY1225000
- hs_code
- 29211990
- risk_code
- 22-36/37/38-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-61-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1): ACTIVE
Applications
UsesDimethylaminopropyl chloride, hydrochloride is used mainly as a pharmaceutical intermediate for the synthesis of many types of drugs, as an agricultural chemical intermediate, as a photographic chemical intermediate, and as a biochemical reagent for enzyme and other studies. The compound shows mutagenic activity.
Uses3-(Dimethylamino)propyl chloride hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
233 records
Compound notes
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