N-Acetylphenylephrine
Basic information
- CAS
58952-80-0- Standard SMILES
CC(=O)N(C)C[C@H](O)c1cccc(O)c1- InChIKey
OSJFSDYUAXAPLF-NSHDSACASA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- N-Acetylphenylephrine
- IUPAC
- N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
- English name
- N-Acetylphenylephrine
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
N-Acetylphenylephrine58952-80-0(R)-N-(2-Hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylacetamideBRN 2734150DTXSID40207692Acetamide, N-(2-hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methyl-, (R)-3-13-00-02237 (Beilstein Handbook Reference)RefChem:363152DTXCID90130183(R)-N-Acetyl PhenylephrineN-Acetyl PhenylephrineN-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
Show more names
Phenylaphrin N-acetyl-78Phenylephrine N-Acetyl ImpurityPhenylephrine Impurity 22(N-Acetyl Phenylephrine)Phenylephrine Impurity 48 (N-Acetyl Phenylephrine)Acetamide, N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-
Acetamide, N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-; Acetamide, N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-, (R)- (9CI); N-Acetylphenylephrinestarbld0021795
Database identifiers
- CAS
58952-80-0- PubChem CID
- 3042015
- DTXSID
DTXSID40207692- Nikkaji
- J52.529D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 422.661 · 422.661±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.698 · 9.698±0.10(predicted)
- color
- White
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesN-Acetyl derivative of R-Phenylephrine (P320640), used in the synthesis of Phenylephrine. Phenylephrine is used to relieve nasal discomfort caused by colds, allergies, and hay fever.
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Compound notes
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