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3-[(4,6-dipiperidino-s-triazin-2-yl)amino]-3-(p-tolyl)propionic acid ethyl ester
SpectraBase Compound ID 37jIDtEefTS
InChI InChI=1S/C25H36N6O2/c1-3-33-22(32)18-21(20-12-10-19(2)11-13-20)26-23-27-24(30-14-6-4-7-15-30)29-25(28-23)31-16-8-5-9-17-31/h10-13,21H,3-9,14-18H2,1-2H3,(H,26,27,28,29)
InChIKey YHZOGYBBFLYGQQ-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C25H36N6O2
Exact Mass 452.289974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CGnWpt9Km4
Name 3-[(4,6-dipiperidino-s-triazin-2-yl)amino]-3-(p-tolyl)propionic acid ethyl ester
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Formula C25H36N6O2
InChI InChI=1S/C25H36N6O2/c1-3-33-22(32)18-21(20-12-10-19(2)11-13-20)26-23-27-24(30-14-6-4-7-15-30)29-25(28-23)31-16-8-5-9-17-31/h10-13,21H,3-9,14-18H2,1-2H3,(H,26,27,28,29)
InChIKey YHZOGYBBFLYGQQ-UHFFFAOYSA-N
Molecular Weight 452.603 g/mol
SMILES N(c1nc(nc(n1)N1CCCCC1)N1CCCCC1)C(CC(=O)OCC)c1ccc(cc1)C
SPLASH splash10-0fc0-7925300000-cbb1365f1fda5f0084af
Synonyms 3-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester Ethyl 3-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]amino]-3-(p-tolyl)propanoate Ethyl 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
Wiley ID 1442361