Grundinformationen
- CAS
504-08-5- Standard-SMILES
Nc1ncnc(N)n1- InChIKey
VZXTWGWHSMCWGA-UHFFFAOYSA-N- Summenformel
- C3H5N5
- Durchschnittliche Molmasse
- 111,11 g/mol
- Monoisotopische Masse
- 111,05449518
Überblick
1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine.
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Triazine-2,4-diamine
- IUPAC
- 1,3,5-triazine-2,4-diamine
- Lokaler Name
- 1,3,5-Triazin-2,4-diamin
- Englischer Name
- 2,4-Diamino-1,3,5-triazine
- Summenformel
- C3H5N5
- Molmasse
- 111.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
504-08-5- PubChem CID
- 10435
- DTXSID
DTXSID7074292- ChEBI
CHEBI:38071- UNII
- A6GN3JB7H4
- EC Number
- 207-983-7
- Nikkaji
- J79.638G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 90,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66,1
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300°C
- Siedepunkt
- 447.6 · 447.6±28.0 °C(Predicted)
- Dichte
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- powder to crystal
- pka
- 4.24 · 4.24±0.10(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
- InChIKey
- VZXTWGWHSMCWGA-UHFFFAOYSA-N
- SMILES
- N1=CN=C(N)N=C1N
- CAS Datenbank
- 504 · 504-08-5(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3,5-Triazine-2,4-diamine (504-08-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.
Danger
H302 (50.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2933.69.6050
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden2,4-Diamino-1,3,5-triazine is a reactant or reagent that has numerous uses. A triazine-modified dendrimer G5-DAT66 was synthesized and used as a vector for osteosarcoma TRAIL gene therapy in vitro and in vivo. 2,4-Diamino-1,3,5-triazine was also used to synthesize water soluble copper(II)-dipeptide complexes which exhibited considerable in vitro cytotoxicity against four human carcinoma cell lines (HepG2, HeLa, A549 and U87). These water soluble DNA minor groove binding diamino-s-triazine copper based complexes are potential chemotherapeutic agents.
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