Tris((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)amine

Catalog Number	ACM510758288-2
CAS	510758-28-8
Structure
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
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Monoisotopic Mass	530.26549100
Rotatable Bond Count	12
Topological Polar Surface Area	95.4 Ų