Thieno(3,2-d)pyrimidin-4-amine
Grundinformationen
- CAS
16285-74-8- Standard-SMILES
Nc1ncnc2ccsc12- InChIKey
QIZMFTNGJPBSBT-UHFFFAOYSA-N- Summenformel
- C6H5N3S
- Durchschnittliche Molmasse
- 151,19 g/mol
- Monoisotopische Masse
- 151,02041816
Namen und Bezeichner
- Bevorzugter Name
- Thieno(3,2-d)pyrimidin-4-amine
- IUPAC
- thieno[3,2-d]pyrimidin-4-amine
- Englischer Name
- Thieno[3,2-d]pyrimidin-4-amine
- Summenformel
- C6H5N3S
- Molmasse
- 151.19
Namen und Synonyme
thieno[3,2-d]pyrimidin-4-amine16285-74-8DTXSID60467695Thieno(3,2-d)pyrimidin-4-amineRefChem:385046DTXCID90418514865-423-24-Aminothieno[3,2-d]pyrimidineMFCD09834952Thieno[3,2-d]pyrimidin-4(3H)-iminethieno[3,2-d]pyrimidin-4-ylamineOSM-S-71
Weitere Namen anzeigen
THIENO[3,2-D]PYRIMIDIN-4-AMINE ISO 9001:2015 REACH
SCHEMBL1160677SCHEMBL6395490CHEMBL2113965hieno[3,2-d]pyrimidin-4-amineQIZMFTNGJPBSBT-UHFFFAOYSA-NRAA28574AKOS015902877AB52930
Datenbank-Bezeichner
- CAS
16285-74-8- PubChem CID
- 11506485
- DTXSID
DTXSID60467695- ChEMBL
CHEMBL2113965- EC Number
- 865-423-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 80 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 130
Physikochemische Eigenschaften
- Schmelzpunkt
- 226 °C · 226 °C
- Siedepunkt
- 346.8 · 346.8±22.0 °C(Predicted)
- Dichte
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- Löslichkeit
- Acetonitrile (Slightly), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 5.39 · 5.39±0.30(Predicted)
- Farbe
- Light Grey
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
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