Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)
CAS Registry Number®
545-80-2
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CAS Name
Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)Molecular Formula
C21H26NO3.CH3O4SCite this Page
Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=545-80-2 (retrieved ) (CAS RN: 545-80-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
154.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
InChIKey=DQHAZEKGLAMVFA-UHFFFAOYSA-M
SMILES
S(OC)(=O)(=O)[O-].C(C(OCC1[N+](C)(C)CCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Canonical SMILES
O=C(OCC1CCC[N+]1(C)C)C(O)(C=2C=CC=CC2)C=3C=CC=CC3.O=S(=O)([O-])OC
Other Names for this Substance
- Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)
- Pyrrolidinium, 2-(hydroxymethyl)-1,1-dimethyl-, methyl sulfate, benzilate
- Pyrrolidinium, 2-[[(hydroxydiphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (salt)
- 2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium methyl sulfate, benzilate
- IS 499
