Alprenolol

• Formula: C₁₅H₂₃NO₂
• Molecular weight: 249.3486
• IUPAC Standard InChI: InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: PAZJSJFMUHDSTF-UHFFFAOYSA-N Copy
• CAS Registry Number: 13655-52-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-; 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-; Alpheprol; 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol; Alfeprol; H 56/28; (±) 1-(o-allylphenoxy)-3-(isopropylamino)-2-propanol (alprenolol)
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Li, Zell, et al., 1999
Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J.W., Characterization of racemic species of chiral drugs using thermal analysis, thermodynamic calculation, and structural studies, J. Pharm. Sci., 1999, 88, 3, 337-346, https://doi.org/10.1021/js980205u . [all data]

Marko, 1988
Marko, V., Retention indices of some β-adrenolytics and their perfluoroacyl derivatives, Chem. Pap., 1988, 42, 3, 375-380. [all data]

Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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• Symbols used in this document:
  

  ΔfusH

  Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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