1,3,5-Tribenzylhexahydro-1,3,5-triazin
1,3,5-Tribenzylhexahydro-1,3,5-triazine
Grundinformationen
- CAS
2547-66-2- Standard-SMILES
c1ccc(CN2CN(Cc3ccccc3)CN(Cc3ccccc3)C2)cc1- InChIKey
VWVZIRPJPFJGFE-UHFFFAOYSA-N- Summenformel
- C24H27N3
- Durchschnittliche Molmasse
- 357,5 g/mol
- Monoisotopische Masse
- 357,22049787
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Tribenzylhexahydro-1,3,5-triazine
- IUPAC
- 1,3,5-tribenzyl-1,3,5-triazinane
- Lokaler Name
- 1,3,5-Tribenzylhexahydro-1,3,5-triazin
- Englischer Name
- 1,3,5-Tribenzylhexahydro-1,3,5-triazine
- Summenformel
- C24H27N3
- Molmasse
- 357.49
Namen und Synonyme
1,3,5-Tribenzylhexahydro-1,3,5-triazine1,3,5-Triazine, hexahydro-1,3,5-tris(phenylmethyl)-EINECS 219-831-7DTXSID80180157NSC 169717RefChem:412625DTXCID90102648219-831-71,3,5-tribenzyl-1,3,5-triazinane2547-66-2MFCD00014599C24H27N3
Weitere Namen anzeigen
LABOTEST-BB LT001382011,3,5-TRIBENZYLHEXAHYDRO-S-TRIAZINEHexahydro-1,3,5-tribenzyl-1,3,5-triazine1,3,5-Tribenzylhexahydro-1,3,5-triazine 98%1,3,5-Tribenzyl-1,3,5-triazinane - [T94291]1,3,5-TRIBENZYLHEXAHYDRO-1,3,5-TRIAZINE 98+%
NB44XJH3W2Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazineNSC-1697171,3,5-tribenzyl-[1,3,5]triazinane1,3,5-trisbenzyl-1,3,5-triazaperhydroineNSC169717UNII-NB44XJH3W2SCHEMBL1639911
Datenbank-Bezeichner
- CAS
2547-66-2- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 9,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 334
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-51 °C(lit.)
- Siedepunkt
- 100 °C0.005 · 100 °C0.005 mm Hg(lit.)
- Dichte
- 113 · 113
- Brechungsindex
- 1.627 · 1.6270 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 5.46 · 5.46±0.20(Predicted)
- 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
- InChIKey
- VWVZIRPJPFJGFE-UHFFFAOYSA-N
- SMILES
- C1N(CN(CN1Cc2ccccc2)Cc3ccccc3)Cc4ccccc4
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information1,3,5-Tribenzylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Regulatorische Informationen
Regulatory Information1,3,5-Tribenzylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
Chemie und Industrie
Anwendungen
Verwenden1,3,5-Tribenzylhexahydro-1,3,5-triazine 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.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter62 Anbieter
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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