Basic information
- CAS
16899-83-5- Standard SMILES
C[NH+](C)CC(=O)c1ccc(O)c(O)c1.[Cl-]- InChIKey
LVRPQCAWIVYJTP-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3
- Average molar mass
- 231.67 g/mol
- Monoisotopic mass
- 231.066221
Overview
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Names & identifiers
- Preferred name
- Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride
- IUPAC
- [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylazanium chloride
- English name
- alpha-Dimethylamino-3',4'-dihydroxyacetophenone hydrochloride
- Molecular formula
- C10H14ClNO3
- Molecular weight
- 231.68
Names & synonyms
SKI 28467Acetophenone, 2-(dimethylamino)-3',4'-dihydroxy-, hydrochlorideNSC 62512Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochlorideEthanone, 1-(3,4-dihydroxyphenyl)-2-(dimethylamino)-, hydrochlorideACETOPHENONE, 3',4'-DIHYDROXY-2-(DIMETHYLAMINO)-, HYDROCHLORIDEu24274aski28467nsc62512alpha-Dimethylamino-3'Adrenaline Impurity 48Epinephrine Impurity 21
Show more names
Epinephrine Impurity 48Carbazochrome Impurity 27Adrenaline Impurity 12 HClAdrenaline Impurity 15 HCl
Database identifiers
- CAS
16899-83-5- PubChem CID
- 28131
Properties
Computed structural properties
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 236 · 236-237 °C
- storage temp.
- 2 · 2-8°C, stored under nitrogen, away from moisture
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 24 · 24/25
- HS Code
- 29225000 · 29225000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29225000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H332-H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-Methyladrenalone Hydrochloride-D3 is an intermediate in the synthesis of rac N-Methyl Epinephrine-d6 Hydrochloride (>90%) (M304302) which is the N-methylated analogue of the sympathomimetic hormone Epinephrine (E588585). Recent studies suggest that N-Methylepinephrine may be synthesized from Epinephrine by phenylethanolamine N-methyltransferase present in the brain.
Preparation methods
PreparationPreparation by reaction of the corresponding base (SM) with hydrogen chloride in ethanol. SM was obtained by reaction of 3,4-dihydroxy-a-chloroacetophenone with concentrated aqueous dimethylamine.
Suppliers34 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
安徽合诺生物科技有限公司18455579438
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
梯尔希（南京）药物研发有限公司
Related reactions
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No reaction records under the current filter.
Compound notes
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