L-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
16652-76-9
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CAS Name
L-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)Molecular Formula
C12H17NO2.C7H8O3SCite this Page
L-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16652-76-9 (retrieved ) (CAS RN: 16652-76-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
158-160 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
InChIKey
InChIKey=QWUQVUDPBXFOKF-MERQFXBCSA-N
SMILES
C(OC([C@H](C(C)C)N)=O)C1=CC=CC=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(OCC=1C=CC=CC1)C(N)C(C)C.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- L-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
- Valine, benzyl ester, p-toluenesulfonate, L-
- L-Valine, phenylmethyl ester, 4-methylbenzenesulfonate
- Valine, benzyl ester, p-toluenesulfonate
- L-Valine benzyl ester toluenesulfonate
Deleted or Replaced CAS Registry Numbers
155453-23-9, 1292797-83-1
