Products 2126177-31-7

CAS 2126177-31-7 is the registry number for 4-(2-Aminoethyl)-3-methylbenzonitrile, trifluoroacetic acid. Offered by: Biosynth. Available pack sizes: 50mg, 0,5g.

4-(2-Aminoethyl)-3-methylbenzonitrile, trifluoroacetic acid
Biosynth
  • size: 50mg, 0,5g
  • Variants: 2
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Structural formula: {0} (CAS {1})

4-(2-aminoethyl)-3-methylbenzonitrile;2,2,2-trifluoroacetic acid (CAS 2126177-31-7) is a chemical compound with the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. IUPAC name: 4-(2-aminoethyl)-3-methylbenzonitrile;2,2,2-trifluoroacetic acid. InChIKey: NRNJSOWVQPEMQW-UHFFFAOYSA-N.

Identity
Molecular formulaC12H13F3N2O2
Molecular weight274.24 g/mol
IUPAC name4-(2-aminoethyl)-3-methylbenzonitrile;2,2,2-trifluoroacetic acid
InChIKeyNRNJSOWVQPEMQW-UHFFFAOYSA-N
SMILESCC1=C(C=CC(=C1)C#N)CCN.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: 4-(2-aminoethyl)-3-methylbenzonitrile, trifluoroacetic acid, 4-(2-aminoethyl)-3-methylbenzonitrile; trifluoroacetic acid, 4-(2-aminoethyl)-3-methylbenzonitrile;2,2,2-trifluoroacetic acid
Isomers (same molecular formula)
1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine C12H13F3N2O2
[3-amino-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone C12H13F3N2O2
1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid C12H13F3N2O2
[4-amino-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone C12H13F3N2O2
N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide C12H13F3N2O2
[4-amino-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone C12H13F3N2O2
[3-amino-4-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone C12H13F3N2O2
ethyl (1Z)-N-[4-(trifluoromethyl)benzoyl]ethanehydrazonate C12H13F3N2O2
2,3,5-trifluoro-4-(4-methylpiperazin-1-yl)benzoic acid C12H13F3N2O2
(2R)-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine C12H13F3N2O2
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid C12H13F3N2O2
2,2-dimethyl-N-[4-(2,2,2-trifluoroacetyl)-3-pyridinyl]propanamide C12H13F3N2O2