Basic information
- Standard SMILES
CCN(CC)CCCl.Cl- InChIKey
RAGSWDIQBBZLLL-UHFFFAOYSA-N- Molecular formula
- C6H14ClN.ClH
- Average molar mass
- 172.09 g/mol
- Monoisotopic mass
- 171.05815484
Overview
See also: Diethylaminoethyl chloride (annotation moved to).
Names & identifiers
- Preferred name
- 1-Chloro-2-(diethylamine)ethane hydrochloride
- IUPAC
- 2-chloro-N,N-diethylethanamine;hydrochloride
Names & synonyms
2-Chloro-N,N-diethylethanamine hydrochloride2-Chloro-N,N-diethylethylamine hydrochloride2-Chlorotriethylamine hydrochlorideDiethylaminoethyl chloride hydrochloride2-Chloroethyldiethylammonium chloride1-Chloro-2-(diethylamino)ethane hydrochloride(2-Chloroethyl)diethylamine hydrochlorideEthanamine, 2-chloro-N,N-diethyl-, hydrochlorideN,N-Diethylaminoethyl chloride hydrochloride2-Chloroethyl-N,N-diethylamine hydrochloride1-CHLORO-2-(DIETHYLAMINE)ETHANE HYDROCHLORIDEDTXSID1029203
Show more names
YCY6EQT3WAHSDB 5765Triethylamine, 2-chloro-, hydrochloride2-ChlorotriethylaminehydrochlorideDiethyl-(2-chloroethyl)amine hydrochlorideNSC 2059EINECS 212-786-4(2-Chloroethyl)diethylamine monohydrochloride
Database identifiers
- CAS
869-24-9- PubChem CID
- 13363
- DTXSID
DTXSID1029203- ChEMBL
CHEMBL3182521- UNII
- YCY6EQT3WA
- EC Number
- 212-786-4
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines
Physical DescriptionTan powder; [MSDSonline]
Safety & regulation
GHS classification
GHS Classification
Danger
H300+H310+H330 (25.7%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride
Status: Active Update: 09-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12841
2-Chloroethyldiethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA severe skin and eye irritant; Causes somnolence, tremor, and dyspnea in lethal-concentration inhalation studies of rats; [RTECS] A severe irritant that may cause serious eye injury; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 2 (97.1%)
Toxicology
Non-Human Toxicity Excerpts
THE AUTORADIOGRAPHIC IDENTIFICATION OF UNSCHEDULED DNA SYNTHESIS (UDS) IN PRIMARY CULTURES OF ADULT RAT HEPATOCYTES WAS PROPOSED AS A PREDICTIVE TEST FOR MUTAGENS/CARCINOGENS. PRIMARY CULTURES OF ADULT RAT HEPATOCYTES WERE PREPARED BY IN SITU PERFUSION OF THE LIVERS OF 150-170 G MALE FISCHER 344 RATS. THE L5178Y MOUSE LYMPHOMA CELL TEST WAS EMPLOYED TO DETERMINE THE MUTATION AT THE THYMIDINE KINASE LOCUS. IN THIS ASSAY, DIETHYLAMINOETHYL CHLORIDE WAS THE MOST ACTIVE, SHOWING A NET MUTATION FREQUENCY ABOUT 15 TIMES THE SPONTANEOUS RATE AT THE HIGHEST CONCN USED (176 UM). THE AMES TEST WAS PERFORMED USING SALMONELLA TYPHIMURIUM PROVIDING A 10,000-FOLD CONCENTRATION RANGE FOR THIS COMPOUND. THE HIGHEST CONCENRATION TESTED WAS 1,000 MCG/ML OF AGAR. THERE WAS GOOD CORRELATION BETWEEN ALL THREE OF THESE TESTS.
Toxicity DataLC50 (rat) = 103 mg/m3/4h
Chemistry & industry
Uses & manufacturing
UsesUsed to make pharmaceuticals; [Hawley] Possesses algicidal and anti-bacterial properties; [HSDB]
General Manufacturing Information
Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1): ACTIVE
1-CHLORO-2-(DIETHYLAMINE)ETHANE HYDROCHLORIDE WAS TESTED FOR BOTH ALGICIDAL AND BACTERICIDAL ACTIVITY.
ALGICIDAL COMPOUNDS WERE PREPARED COMPRISING A SOLID OR LIQUID CARRIER AND A DIAMINE I, EG PREPARED FROM N,N-DIETHYLAMINOETHYLCHLORIDE-HCL, KILLED MORE THAN 81% OF VAUCHERIA, CLADOPHORA, AND NAUGEOTIA AT 0.4-2.0 MG/L AFTER 2 WEEKS.
N,N-DIETHYL-2-CHLOROETHYLAMINE HYDROCHLORIDE INHIBITED THE GROWTH OF ANABAENA VARIABILIS, CHLORELLA PYRENOIDOSA, & SCENEDESMUS ACUMINATUS.
Related reactions
177 records
Linked notes
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