Hexahydro-1,3,5-triphenyl-1,3,5-triazine

C21H21N3CAS 91-78-1315.42 g/mol

Open in Covalent MOL file
NNN
Tertiary amine

Properties

Molecular formula
C21H21N3
Molar mass
315.42 g/mol
Exact mass
315.1735 Da
Melting point
144 °C
Boiling point
185 °C
logP
4.39Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
91-78-1
SMILES
c1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1
InChIKey
VASMRQAVWVVDPA-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2

Weigh it out

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

Names and synonyms

11 names
  • 1,3,5-Triazine, hexahydro-1,3,5-triphenyl-
  • s-Triazine, hexahydro-1,3,5-triphenyl-
  • Anhydroformaldehyde aniline
  • 1,3,5-Triphenylhexahydro-s-triazine
  • 1,3,5-Triphenylhexahydro-1,3,5-triazine
  • N,N,N-Triphenylhexahydro-s-triazine
  • NSC 9419
  • 1,3,5-Triphenyl-1,3,5-triazacyclohexane
  • 1,3,5-Triphenyl-1,3,5-triazine
  • Hexahydro-1,3,5-triphenyl-s-triazine
  • 1,3,5-Triphenyl-1,3,5-triazinane

Work with Hexahydro-1,3,5-triphenyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenylpyrrolidine4096-21-360 % similar N-Phenylpiperidine4096-20-257 % similar Diethylaniline91-66-757 % similar Dibenzylaniline91-73-657 % similar N-Phenyldiethanolamine120-07-052 % similar 4-Phenylmorpholine92-53-552 % similar Phenylpiperazine92-54-652 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dihydroethidium104821-25-2 Dihydroethidium38483-26-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook