Catalog Number:
AG01EI8I
Chemical Name:
4-(2-aminoethyl)-3-methylbenzonitrile, trifluoroacetic acid
CAS Number:
2126177-31-7
Molecular Formula:
C12H13F3N2O2
Molecular Weight:
274.2390
MDL Number:
MFCD31381172
IUPAC Name:
4-(2-aminoethyl)-3-methylbenzonitrile;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H12N2.C2HF3O2/c1-8-6-9(7-12)2-3-10(8)4-5-11;3-2(4,5)1(6)7/h2-3,6H,4-5,11H2,1H3;(H,6,7)
InChI Key:
NRNJSOWVQPEMQW-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCCc1ccc(cc1C)C#N
