Catalog Number:
AG001WUT
Chemical Name:
2-Pyrrolidinecarbonitrile, compd. with 4-methylbenzenesulfonate (1:1)
CAS Number:
1666113-04-7
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
MDL Number:
MFCD28400995
IUPAC Name:
4-methylbenzenesulfonic acid;pyrrolidine-2-carbonitrile
InChI:
InChI=1S/C7H8O3S.C5H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-5-2-1-3-7-5/h2-5H,1H3,(H,8,9,10);5,7H,1-3H2
InChI Key:
ZILVRYHBTINJDJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.N#CC1CCCN1
