3-Amino-5-methyl-4H-1,2,4-triazole

HCID 234610CAS 4923-01-7

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Grundinformationen

Standard-SMILES: Cc1nc(N)n[nH]1
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
Summenformel: C3H6N4
Durchschnittliche Molmasse: 98,11 g/mol
Monoisotopische Masse: 98,05924619

Namen und Bezeichner

Bevorzugter Name: 3-Amino-5-methyl-4H-1,2,4-triazole
IUPAC: 5-methyl-1H-1,2,4-triazol-3-amine
Englischer Name: 3-AMINO-5-METHYL-4H-1,2,4-TRIAZOLE
Summenformel: C3H6N4
Molmasse: 98.11

Namen und Synonyme

3-Amino-5-methyl-4H-1,2,4-triazoleRefChem:497419641-003-25-methyl-4H-1,2,4-triazol-3-amine4923-01-75-methyl-1H-1,2,4-triazol-3-amine3-methyl-1H-1,2,4-triazol-5-amine53741-81-45-methyl-4h-1,2,4-triazol-3-ylamine3-Amino-5-methyl-1,2,4-triazole26092-56-81H-1,2,4-Triazol-3-amine, 5-methyl-

Weitere Namen anzeigen

2-methyl-5-amino-1,3,4-triazole1H-1,2,4-Triazol-5-amine,3-methyl-5-Methyl-3-amino-4H-1,2,4-triazole5-Methyl-1H-[1,2,4]triazol-3-ylamin5-Methyl-1H-[1,2,4]triazol-3-ylaMine5-METHYL-4H-[1,2,4]TRIAZOL-3-YLAMINE

3-Amino-5-methyl-1H-1,2,4-triazoleMFCD00205267MFCD00498236UBF98UW595s-Triazole, 3-amino-5-methyl-DTXSID602840013-Amino-5-methyl-1H-s-triazole5-methyl-1,2,4-triazol-3-amine

Datenbank-Bezeichner

CAS: 4923-01-7
PubChem CID: 234610
DTXSID: DTXSID60284001
UNII: UBF98UW595
EC Number: 641-003-2
Nikkaji: J80.925J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 67,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 64

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-144
Siedepunkt: 345.5 · 345.5±25.0 °C(Predicted)
Dichte: 1.348 · 1.348±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 11.56 · 11.56±0.40(Predicted)
Farbe: Pale yellow
InChI: InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
SMILES: N1C(N)=NC(C)=N1
CAS Datenbank: 4923 · 4923-01-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.