L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
42854-62-6
CAS Name
L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)Molecular Formula
C10H13NO2.C7H8O3SCite this Page
L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=42854-62-6 (retrieved ) (CAS RN: 42854-62-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
115-117 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1
InChIKey
InChIKey=NWOPHJSSBMABBD-QRPNPIFTSA-N
SMILES
C(OC([C@H](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.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
- L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate
- Alanine, benzyl ester, p-toluenesulfonate, L-
- L-Alanine benzyl ester tosylate
- L-Alanine benzyl ester p-toluenesulfonate
Deleted or Replaced CAS Registry Numbers
129048-26-6, 290834-15-0, 661481-27-2, 681282-35-9, 150849-45-9
