Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine

C24H27N3CAS 2547-66-2357.50 g/mol

Open in Covalent MOL file
NNN
Tertiary amine

Properties

Molecular formula
C24H27N3
Molar mass
357.50 g/mol
Exact mass
357.2205 Da
Melting point
218–222 °C
Boiling point
150–160 °C (at 0.1 Torr)
logP
4.38Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2547-66-2
SMILES
c1ccc(CN2CN(Cc3ccccc3)CN(Cc3ccccc3)C2)cc1
InChIKey
VWVZIRPJPFJGFE-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,3,5-Triazine, hexahydro-1,3,5-tris(phenylmethyl)-
  • s-Triazine, 1,3,5-tribenzylhexahydro-
  • 1,3,5-Tribenzylhexahydro-s-triazine
  • 1,3,5-Tribenzylhexahydro-1,3,5-triazine
  • Tribenzylhexahydro-sym-triazine
  • TTT
  • 1,3,5-Tris(phenylmethyl)hexahydro-1,3,5-triazine
  • Tri-N-benzyl-1,3,5-triazacyclohexane
  • 1,3,5-Tribenzyl-1,3,5-triazacyclohexane
  • Hexahydro-1,3,5-tribenzyl-s-triazine
  • NSC 169717
  • 1,3,5-Tribenzyl-1,3,5-triazinane
  • 1,3,5-Tris(benzyl)-1,3,5-triazinane

Work with Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine

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

Tribenzylamine620-40-678 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-570 % similar 1-Benzylpiperidine2905-56-861 % similar 1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-461 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-456 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-656 % similar 1-Benzylpiperazine2759-17-356 % similar 1-Benzylpiperazine2759-28-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solvent violet 852080-58-7

Elsewhere

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