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Catalog NumberCCR1334179859
CAS1334179-85-9
IUPAC Name2-[4-[[Bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]acetic acid
Molecular Weight430.5
Molecular FormulaC19H30N10O2
Canonical SMILESCC(C)(C)N1C=C(N=N1)CN(CC2=CN(N=N2)CC(=O)O)CC3=CN(N=N3)C(C)(C)C
InChIInChI=1S/C19H30N10O2/c1-18(2,3)28-11-15(21-24-28)8-26(7-14-10-27(23-20-14)13-17(30)31)9-16-12-29(25-22-16)19(4,5)6/h10-12H,7-9,13H2,1-6H3,(H,30,31)
InChI KeyMGQYHUDOWOGSQI-UHFFFAOYSA-N
Boiling Point620.7±65.0 °C(Predicted)
Purity95%+ (HPLC)
Density1.32±0.1 g/cm3(Predicted)
SolubilitySoluble in DMSO, DMF, MeOH
AppearanceSolid
ApplicationCuAAC Click Reaction
Storage4 °C
Complexity574
Exact Mass430.25532024
Monoisotopic Mass430.25532024
pKa3.33±0.10(Predicted)
Topological Polar Surface Area133Ų

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