1,3,5-Triazin-2-amin

1,3,5-Triazin-2-amine

HCID 20077

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Grundinformationen

CAS: 4122-04-7
Standard-SMILES: Nc1ncncn1
InChIKey: KCZIUKYAJJEIQG-UHFFFAOYSA-N
Summenformel: C3H4N4
Durchschnittliche Molmasse: 96,09 g/mol
Monoisotopische Masse: 96,04359615

Namen und Bezeichner

Bevorzugter Name: 1,3,5-Triazin-2-amine
IUPAC: 1,3,5-triazin-2-amine
Lokaler Name: 1,3,5-Triazin-2-amin
Englischer Name: 2-Amino-1,3,5-triazine
Summenformel: C3H4N4
Molmasse: 96.09

Namen und Synonyme

1,3,5-Triazin-2-amine4122-04-7DTXSID70194147EINECS 223-920-6NSC 54656RefChem:412498DTXCID80116638223-920-62-Amino-1,3,5-triazineMFCD00023179Amino-1,3,5-Triazine2-AMINO-S-TRIAZINE

Weitere Namen anzeigen

2-AMINO-1,3,5-TRIAZINE 98%2-Amino-1,3,5-triazine,98%2-AMino-1,3,5-triazine, 98% 1GR[diacetyloxy(ethenyl)silyl] acetate1,3,5-Triazin-2-amine, 2-Amino-s-triazine

1,3,5-Triazine-2-ylamineCHEMBL89436NSC-54656s-Triazine-2-amine2-Aminotriazeneamino-s-triazineTIMTEC-BB SBB0055301,3,5-Triazin-2(5H)-imine

Datenbank-Bezeichner

CAS: 4122-04-7
PubChem CID: 20077
DTXSID: DTXSID70194147
ChEMBL: CHEMBL89436
UNII: QD6Q84R3LQ
EC Number: 223-920-6
Nikkaji: J224.930H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 64,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 48

Physikochemische Eigenschaften

Schmelzpunkt: 219 · 219-224 °C
Siedepunkt: 169.59 °C · 169.59°C (rough estimate)
Dichte: 1.217 · 1.2170 (rough estimate)
Brechungsindex: 1.738 · 1.7380 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.08 · 3.08±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to light yellow
CAS Datenbank: 4122 · 4122-04-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 41 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.