Synonyms
Tris(benzyltriazolylmethyl)amine
IUPAC Name
1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine
Molecular Weight
530.63
Molecular Formula
C30H30N10
Canonical SMILES
C1=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
InChI
WKGZJBVXZWCZQC-UHFFFAOYSA-N
InChI Key
InChI=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
Boiling Point
762.4±70.0 °C(Predicted)
Melting Point
132-143 °C
Purity
97%
Appearance
White solid
Complexity
628
Covalently-Bonded Unit Count
1
Exact Mass
530.26549100
H-Bond Acceptor
7
Heavy Atom Count
40
Monoisotopic Mass
530.26549100
Rotatable Bond Count
12
Topological Polar Surface Area
95.4 Ų
