Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester

• Formula: C₁₇H₂₈N₂O₃
• Molecular weight: 308.4158
• IUPAC Standard InChI: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: CMHHMUWAYWTMGS-UHFFFAOYSA-N Copy
• CAS Registry Number: 99-43-4
• 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: Oxybuprocaine; Benoxinate; 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester; Benoxil; Conjucain; 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate; Dorsacain; Novesinol; Oxibuprokain; Oxybucaine; Oxyriprocaine; Prescaina; S 749; 4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID (NEAT); PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

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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Normal alkane RI, non-polar column, temperature ramp

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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.

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]

Delbeke, Debackere, et al., 1981
Delbeke, F.T.; Debackere, M.; Desmet, N., Detection of some local anaesthetics in horse urine and plasma by gas-liquid chromatography, J. Chromatogr., 1981, 206, 3, 594-599, https://doi.org/10.1016/S0021-9673(00)88931-1 . [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Notes

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