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

C₂₄H₂₇N₃CAS 2547-66-2357.50 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

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 2-[Bis(phenylmethyl)amino]ethanol101-06-456 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-656 % similar 1-Benzylpiperazine2759-28-656 % similar N-Benzyl-3-hydroxyazetidine54881-13-954 % similar Dimethylbenzylamine103-83-352 % similar

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

Elsewhere

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