Completing data — usually done within a minute
Basic information
- CAS
4261-68-1- Standard SMILES
CC(C)N(CCCl)C(C)C.Cl- InChIKey
IUSXYVRFJVAVOB-UHFFFAOYSA-N- Molecular formula
- C8H19Cl2N
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 199.08945497
Names & identifiers
- Preferred name
- 2-Chloroethyldiisopropylammonium chloride
- IUPAC
- N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
Names & synonyms
2-Chloroethyldiisopropylammonium chloride2-(diisopropylamino)-ethylchloride hydrochlorideRefChem:4704534261-68-12-Diisopropylaminoethyl Chloride Hydrochloride2-(Diisopropylamino)ethyl chloride hydrochlorideDTXSID60487012-Chloroethyldiisopropylamine hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride6RMR38FCEQN-(2-Chloroethyl)diisopropylamine hydrochlorideN-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride
Show more names
NSC-49189N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)(2-chloroethyl)bis(propan-2-yl)amine hydrochlorideNCGC00166002-01EINECS 224-238-1UNII-6RMR38FCEQNSC 49189
Database identifiers
- CAS
4261-68-1- PubChem CID
- 77942
- DTXSID
DTXSID6048701- ChEMBL
CHEMBL3188338- UNII
- 6RMR38FCEQ
- EC Number
- 224-238-1
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 73.3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23632
2-(Diisopropylamino)-ethylchloride hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
0.0080 [mg/m3]
0.088 [mg/m3]
0.53 [mg/m3]
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1): ACTIVE
Related reactions
54 records
Compound notes
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