1-Pyrrolidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, compd. with 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
2097068-76-1
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CAS Name
1-Pyrrolidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, compd. with 4-methylbenzenesulfonate (1:1)Molecular Formula
C15H22N2O2.C7H8O3SCite this Page
1-Pyrrolidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, compd. with 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2097068-76-1 (retrieved ) (CAS RN: 2097068-76-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C15H22N2O2.C7H8O3S/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,12H,8-10,16H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey
InChIKey=WDJQFQCSTPCQGF-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)N1CC(CC1)C2=CC=C(N)C=C2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(OC(C)(C)C)N1CCC(C2=CC=C(N)C=C2)C1.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- 1-Pyrrolidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, compd. with 4-methylbenzenesulfonate (1:1)