(2R)-1-(2-Methoxyphenoxy)-3-((1-methylethyl)amino)-2-propanol
Basic information
- CAS
77164-22-8- Standard SMILES
COc1ccccc1OC[C@H](O)CNC(C)C- InChIKey
LFTFGCDECFPSQD-LLVKDONJSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- (2R)-1-(2-Methoxyphenoxy)-3-((1-methylethyl)amino)-2-propanol
- IUPAC
- (2R)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- 2-Propanol, 1-(2-methoxyphenoxy)-3-((1-methylethyl)amino)-, (R)-
- Molecular formula
- C13H21NO3
- Molecular weight
- 239.31
Names & synonyms
d-Moprolol77164-22-8(R)-(+)-MoprololMoprolol, (+)-O1J5D859R3DTXSID901180387(2R)-1-(2-Methoxyphenoxy)-3-((1-methylethyl)amino)-2-propanol(2R)-1-(2-Methoxyphenoxy)-3-[(1-methylethyl)amino]-2-propanolRefChem:905822DTXCID001611731(+)-MoprololUNII-O1J5D859R3
Show more names
2-Propanol, 1-(2-methoxyphenoxy)-3-[(1-methylethyl)amino]-, (2R)-
2-Propanol, 1-(2-methoxyphenoxy)-3-((1-methylethyl)amino)-, (R)-(2R)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol(R)-1-(2-Methoxyphenoxy)-3-((1-methylethyl)amino)-2-propanol(2R)-1-(2-methoxyphenoxy)-3-[(propan-2-yl)amino]propan-2-olMOPROLOL, (R)-SCHEMBL30910938Q27285213(R)-1-(Isopropylamino)-3-(2-methoxy-phenoxy)-propan-2-ol
Database identifiers
- CAS
77164-22-8- PubChem CID
- 3059751
- DTXSID
DTXSID901180387- UNII
- O1J5D859R3
- Nikkaji
- J1.143.829F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 379.2 · 379.2±32.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 13.89 · 13.89±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 J5D859R3 · O1J5D859R3
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Compound notes
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