1,2,4-Triazin-3-ylamin

3-Amino-1,2,4-triazine

HCID 70715CAS 1120-99-6

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Grundinformationen

Standard-SMILES: Nc1nccnn1
InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N
Summenformel: C3H4N4
Durchschnittliche Molmasse: 96,09 g/mol
Monoisotopische Masse: 96,04359615

Namen und Bezeichner

Bevorzugter Name: 3-Amino-1,2,4-triazine
IUPAC: 1,2,4-triazin-3-amine
Lokaler Name: 1,2,4-Triazin-3-ylamin
Englischer Name: 3-Amino-1,2,4-triazine
Summenformel: C3H4N4
Molmasse: 96.09

Namen und Synonyme

1,2,4-Triazin-3-amine3-Amino-1,2,4-triazine1120-99-6DTXSID90149816RefChem:4966613-ATINEDTXCID5072307214-324-7as-Triazine, 3-amino-3-Amino-as-triazine[1,2,4]triazin-3-ylamineMFCD00006459

Weitere Namen anzeigen

1,2,4-Triazine-3-amine3-amino-as-triazinTIMTEC-BB SBB004379Amino-1,2,4-triazine3-amine-1,2,4-Triazin

1,2,4-Triazin-3-ylamine1,2,4-triazine-3-ylamine1,2,4-Triazine, 3-amino-EINECS 214-324-7AI3-61002184433-61-23-Amino-1,2,4-triazine; 3-Amino-as-triazine; NSC 203233; [1,2,4]Triazin-3-ylamine3-amino -1,2,4-triazine

Datenbank-Bezeichner

CAS: 1120-99-6
PubChem CID: 70715
DTXSID: DTXSID90149816
EC Number: 214-324-7
Nikkaji: J90.931I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 64,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 54

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-177 °C(lit.)
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,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Sonicated), Methanol (Slightly, Sonicated)
pka: 3.67 · 3.67±0.63(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Brown
InChI: InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)
InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N
SMILES: N1C=CN=C(N)N=1
CAS Datenbank: 1120 · 1120-99-6(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 (97.6%): 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 42 reports by companies from 5 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.