chempirical

Tris(benzyltriazolylmethyl)amine

C30H30N10CAS 510758-28-8530.64 g/mol

Open in Covalent MOL file
NNNNNNNNNN
Tertiary amine

Properties

Molecular formula
C30H30N10
Molar mass
530.64 g/mol
Exact mass
530.2655 Da
Melting point
146–148 °C
logP
3.81Crippen estimate
Polar surface area
95.4 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
12

Identifiers

CAS number
510758-28-8
SMILES
c1ccc(Cn2cc(CN(Cc3cn(Cc4ccccc4)nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1
InChIKey
WKGZJBVXZWCZQC-UHFFFAOYSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-1,2,3-Triazole-4-methanamine, 1-(phenylmethyl)-N,N-bis[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-
  • 1-(Phenylmethyl)-N,N-bis[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-1H-1,2,3-triazole-4-methanamine
  • N,N,N-Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
  • Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
  • TBTA
  • 1-(1-Benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine
  • Tris-(benzyltriazolylmethyl)amine
  • 1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N,N-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]methanamine

Work with Tris(benzyltriazolylmethyl)amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tribenzylamine620-40-642 % similar 4-Iodo-1-(phenylmethyl)-1H-pyrazole50877-42-440 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-535 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-235 % similar N-Benzylpyrrole2051-97-034 % similar Dibenzylhydroxylamine621-07-834 % similar (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-433 % similar 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-45-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia