2-Methylethylamino-1-phenyl-1-propanol hydrochloride
Basic information
- CAS
5591-29-7- Standard SMILES
CC[NH+](C)C(C)C(O)c1ccccc1.[Cl-]- InChIKey
WRONACHIHQGZSD-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO
- Average molar mass
- 229.74 g/mol
- Monoisotopic mass
- 229.123342
Names & identifiers
- Preferred name
- 2-Methylethylamino-1-phenyl-1-propanol hydrochloride
- IUPAC
- ethyl-(1-hydroxy-1-phenylpropan-2-yl)-methylazanium chloride
- English name
- etafedrine hydrochloride
- Molecular formula
- C12H20ClNO
- Molecular weight
- 229.7463
Names & synonyms
2-Methylethylamino-1-phenyl-1-propanol hydrochlorideethyl-(1-hydroxy-1-phenylpropan-2-yl)-methylazanium;chlorideDitenateETAFEDRINE HCLUnii-Y134vq304yEinecs 227-000-5Novedrine Hydrochlorideetafedrine hydrochlorideEthylephedrine HydrochlorideEtafedrine hydrochloride [USAN]Etafedrine HCl (Ethylephedrine HCl)Etafedrine Hydrochloride (Mixture of diastereoMers)
Database identifiers
- CAS
5591-29-7- PubChem CID
- 10733
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 183 · 183-184°
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 134 VQ304Y · Y134VQ304Y
Chemistry & industry
Applications
UsesEtafedrine is the N-ethylated analogue of Ephedrine (E575000). Etafedrine is a long-acting bronchodilator that acts as a selective β-adrenergic receptor agonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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