Basic information
- CAS
14549-32-7- Standard SMILES
CCC(OCC[NH+](C(C)C)C(C)C)C(=O)c1ccccc1.[Cl-]- InChIKey
PDTNJULAMCAUDW-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- 2-(2-(Di(propan-2-yl)amino)ethoxy)-1-phenylbutan-1-one--hydrogen chloride (1/1)
- IUPAC
- 2-(1-oxo-1-phenylbutan-2-yl)oxyethyl-di(propan-2-yl)azanium chloride
Names & synonyms
14549-32-7DTXSID609326162-(2-(Di(propan-2-yl)amino)ethoxy)-1-phenylbutan-1-one--hydrogen chloride (1/1)RefChem:1060819DTXCID2013613042-(2-(Diisopropylamino)ethoxy)butyrophenone hydrochlorideREC 7-0518 hydrochloride2-Butyryl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochlorideBUTYROPHENONE, 2-(2-(DIISOPROPYLAMINO)ETHOXY)-, HYDROCHLORIDE
Database identifiers
- CAS
14549-32-7- PubChem CID
- 26733
- EC Number
- 680-308-5
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 288
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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