Basic information
- Standard SMILES
CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1- InChIKey
LVERDXLUFRHUKR-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
Names & identifiers
- Preferred name
- 2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
- IUPAC
- 2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
- English name
- 2-(BenzylMethylaMino)-3',4'-dihydroxyacetophenone-d3
- Molecular formula
- C16H17NO3
- Molecular weight
- 271.31108
Names & synonyms
2-[BENZYL(METHYL)AMINO]-1-(3,4-DIHYDROXYPHENYL)ETHANONE2-(Benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethanoneRefChem:459713814-489-036467-25-12-(Benzylmethylamino)-3',4'-dihydroxyacetophenoneM7UW1YUN32Adrenaline EP Impurity E1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanoneUNII-M7UW1YUN32Adrenaline impurity E [EP]MFCD18379199
Show more names
α-BenzylMethylaMino-3,4-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d31-(3,4-Dihydroxyphenyl)-2-[Methyl(phenylMethyl)aMino]ethanone-d3
Acetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy-2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethan-1-one1-(3,4-Dihydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone2-(benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethan-1-oneAcetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy- (6CI); 1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanone; a-Benzylmethylamino-3,4-dihydroxyacetophenone; 2-(Benzylmethylamino)-1-(3,4-dihydroxyphenyl)ethanone; Adrenaline Tartrate Imp. E (EP)N-BENZYL ADRENALONESCHEMBL4322968SCHEMBL30423344
Database identifiers
- CAS
1330172-65-0- UNII
- M7UW1YUN32
- EC Number
- 814-489-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- solubility
- Methanol
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H301+H331 (33.3%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30234
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
Chemistry & industry
Applications
UsesLabelled ephedrine intermediate.
Suppliers3 total
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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