Basic information
- CAS
99-45-6- Standard SMILES
CNCC(=O)c1ccc(O)c(O)c1- InChIKey
PZMVOUYYNKPMSI-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Overview
Adrenalone is an aromatic ketone.
Names & identifiers
- Preferred name
- Adrenalone
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
- English name
- Adrenalone
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
Adrenalone99-45-6Adrenone1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanoneStypnone4-Methylaminoacetocatechol4-Methylaminoacetopyrocatechol3',4'-Dihydroxy-2-(methylamino)acetophenone1-(3,4-dihydroxyphenyl)-2-(methylamino)ethan-1-oneEthanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-DTXSID5048710NSC-243611
Show more names
stypnonchemosanhaemodankephrineketogazeremestyp
EGU41QL329NSC243611DTXCID8028636RefChem:553113u2134202-756-9StryphnonAdrenon
Database identifiers
- CAS
99-45-6- PubChem CID
- 7436
- DTXSID
DTXSID5048710- ChEMBL
CHEMBL2103996- ChEBI
CHEBI:134821- UNII
- EGU41QL329
- EC Number
- 202-756-9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 235.5 °C · 235.5°C (rough estimate)
- Boiling point
- 314.29 °C · 314.29°C (rough estimate)
- Density
- 1.2375 · 1.2375 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Aqueous Acid (Slightly)
- form
- Solid
- pka
- 7.32 · 7.32±0.20(Predicted)
- color
- Pale Yellow to Light Yellow
- Stability
- Hygroscopic
- InChI
- InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
- InChIKey
- PZMVOUYYNKPMSI-UHFFFAOYSA-N
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
B - Blood and blood forming organs
QB - Blood and blood forming organs
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure.
Drugs used to cause constriction of the blood vessels.
Applications
UsesAdrenergic (ophthalmic).
UsesAdrenalone is a ketone derivative of Epinephrine (E588585) and a potential dopamine β oxidase inhibitor.
Preparation methods
PreparationPreparation by reaction of excess 33% aqueous methylamine with 3,4-dihydroxy-a-chloroacetophenone.
Upstream & downstream products
Upstream raw materials
Suppliers48 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…