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Catalog NumberCCR510758288
CAS510758-28-8
SynonymsTris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
IUPAC Name1-(1-Benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine
Molecular Weight530.6
Molecular FormulaC30H30N10
Canonical SMILESC1=CC=C(C=C1)CN2C=C(N=N2)CN(CC3=CN(N=N3)CC4=CC=CC=C4)CC5=CN(N=N5)CC6=CC=CC=C6
InChIInChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
InChI KeyWKGZJBVXZWCZQC-UHFFFAOYSA-N
Boiling Point762.4±70.0 °C(Predicted)
Purity95%+ (HPLC)
Density1.27±0.1 g/cm3(Predicted)
AppearanceSolid
ApplicationCuAAC Click Reaction
Storage4 °C
Complexity628
Exact Mass530.265491
Monoisotopic Mass530.265491
pKa2.44±0.50(Predicted)
Topological Polar Surface Area95.4Ų

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