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HCID 79608Erstellt: 24. Oktober 2026

Pyrimidine-4,6-diamine

4,6-PYRIMIDINEDIAMINE · PYRIMIDINE-4,6-DIAMINE · TIMTEC-BB SBB004336 · 6-PyriMidinediaMine · 4,6-DIAMINOPYRIMIDINE · Lenvatinib Impurity 145 · 4,6-Diaminopyrimidine>4,6-Pyrimidinediamine (9CI) · (6-aminopyrimidin-4-yl)amine

https://huagongshe.com/de/chemical/79608

Molekülstruktur von Pyrimidine-4,6-diamine

Identifikatoren & physikalische Daten

CAS No.2434-56-2
SummenformelC4H6N4
Durchschnittliche Molmasse110,12 g/mol
Monoisotopische Masse110,05924619 g/mol
SMILESNc1cc(N)ncn1
InChIKeyMISVBCMQSJUHMH-UHFFFAOYSA-N
PubChem CID79608
EC No.679-734-4
DTXSIDDTXSID00275776

Chemische & physikalische Eigenschaften

XLogP-0,5
Polarare Oberfläche (TPSA)77,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome8
Formalladung0
Komplexität66,4
Schmelzpunkt270-271°C
Siedepunkt364.0±22.0 °C(Predicted)
Dichte1.368±0.06 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
Aggregatzustandpowder to crystal
pKa (Säurekonstante)5.78±0.10(Predicted)
FarbeWhite to Almost white
InChIInChI=1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)
InChIKeyMISVBCMQSJUHMH-UHFFFAOYSA-N
SMILESC1=NC(N)=CC(N)=N1
CAS Datenbank2434-56-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Zollcode29335990