Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
5098-14-6
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CAS Name
Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)Molecular Formula
C7H8O3S.C3H3N3Cite this Page
Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5098-14-6 (retrieved ) (CAS RN: 5098-14-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
180-181 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey
InChIKey=MEUWQVWJLLBVQI-UHFFFAOYSA-N
SMILES
C(C#N)(C#N)N.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
N#CC(C#N)N.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)
- Malononitrile, amino-, p-toluenesulfonate
- Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)
- Aminomalononitrile tosylate
- Aminomalonitrile tosylate
Deleted or Replaced CAS Registry Numbers
42770-06-9, 50627-64-0
