1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
Basic information
- CAS
55845-90-4- Standard SMILES
CCN(CC(=O)c1cccc(O)c1)Cc1ccccc1.Cl- InChIKey
SKILLULCQGKLNZ-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
- IUPAC
- 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
- English name
- (N-benzyl-N-ethyl)amino-3-hydroxyacetophenone hydrochloride
- Molecular formula
- C17H20ClNO2
- Molecular weight
- 305.7992
Names & synonyms
1-(3-Hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochlorideEC 401-840-4DTXSID801338705(N-BENZYL-N-ETHYL)AMINO-3-HYDROXYACETOPHENONE HYDROCHLORIDERefChem:423892DTXCID901768640401-840-455845-90-42-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride(N-Benzyl-N-ethyl) Amino-3-Hydroxyacetophenone Hydrochloride2-(Benzylethyl-amino)-1-(3-hydroxyphenyl)ethanone Hydrochloride (Benzyletilefrone Hydrochloride)(N-?Benzyl-?N-?ethyl)? Amino-?3-?Hydroxyacetophenone Hydrochloride
Show more names
2-(Benzylethyl-amino)-1-(3-hydroxypEtilefrine Hydrochloride Impurity D as HydrochlorideEtilefrine Hydrochloride EP Impurity D as Hydrochloride2-[Ethyl(phenylmethyl)amino]-1-(3-hydroxyphenyl)ethanone hydrochlorideEthanone, 2-[ethyl(phenylmethyl)amino]-1-(3-hydroxyphenyl)-, hydrochloride (1:1)2-(Benzylethyl- amino)-1-(3-hydroxyphenyl)ethanone Hydro- chloride (Benzyletilefrone Hydrochloride)
Etilefrone HCLEtilefrone hydrochlorideSCHEMBL27835727SKILLULCQGKLNZ-UHFFFAOYSA-NEtilefrine Hydrochloride EP Impurity DEE40184040NS00078516(N-Bencil-N-etil)amino-3'-hidroxiacetofenona, clorhidrato
Database identifiers
- CAS
55845-90-4- PubChem CID
- 62319
- DTXSID
DTXSID801338705- EC Number
- 401-840-4、641-593-1
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slighlty)
- form
- Solid
- color
- Off-White to Pale Brown
- Stability
- Hygroscopic
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H411
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi,N
- Risk Statements
- 41 · 41-51/53
- Safety Statements
- 26 · 26-39-61
- REACH Registrations
- Inactive
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
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride (EC: 401-840-4)
Hazard Classes and Categories
Eye damage - category 1
Eye Dam. 1
Safety data
- risk_code
- 41-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-39-61
- Hazard statements
- H318-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses(N-Benzyl-N-ethyl) Amino-3-hydroxyacetophenone Hydrochloride is a reactant in acylation of Etilefrine prodrugs.
Suppliers
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Related reactions
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Compound notes
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