1,3,5-Tribenzylhexahydro-1,3,5-triazine - CAS 2547-66-2
Catalog: |
BB018923 |
Product Name: |
1,3,5-Tribenzylhexahydro-1,3,5-triazine |
CAS: |
2547-66-2 |
Synonyms: |
1,3,5-tribenzyl-1,3,5-triazinane |
IUPAC Name: | 1,3,5-tribenzyl-1,3,5-triazinane |
Description: | 1,3,5-Tribenzylhexahydro-1,3,5-triazine (CAS# 2547-66-2) is used as a reagent in the synthesis of phosphinic acid based NAALADase inhibitors which may potentially be used for the treatment of both neurodegenerative disorders and peripheral neuropathies. |
Molecular Weight: | 357.49 |
Molecular Formula: | C24H27N3 |
Canonical SMILES: | C1N(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4 |
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 |
InChI Key: | VWVZIRPJPFJGFE-UHFFFAOYSA-N |
Boiling Point: | 100 °C / 0.005 mmHg (lit.) |
Density: | 1.136 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00014599 |
LogP: | 4.19280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113087649-A | Preparation method of dihydropyrrolone derivative | 20210325 |
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PMID | Publication Date | Title | Journal |
16598803 | 20060614 | Controlled assembly of a heterogeneous single-site ethylene trimerization catalyst as probed by X-ray absorption spectroscopy | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 357.220497874 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 357.220497874 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 9.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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