Grundinformationen
- Standard-SMILES
c1cc2c(cn1)NCCO2- InChIKey
HKSOYMJNDHHYEI-UHFFFAOYSA-N- Summenformel
- C7H8N2O
- Durchschnittliche Molmasse
- 136,15 g/mol
- Monoisotopische Masse
- 136,06366288
Namen und Bezeichner
- Bevorzugter Name
- 2H,3H,4H-pyrido[4,3-b][1,4]oxazine
- IUPAC
- 3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
- Englischer Name
- 2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)
- Summenformel
- C7H8N2O
- Molmasse
- 136.15
Namen und Synonyme
2H,3H,4H-pyrido[4,3-b][1,4]oxazine3,4-Dihydro-2H-pyrido[4,3-b]-1,4-oxazine2H,3H,4H-pyrido(4,3-b)(1,4)oxazine3,4-Dihydro-2H-pyrido(4,3-b)-1,4-oxazineRefChem:484014819-675-53,4-DIHYDRO-2H-PYRIDO[4,3-B][1,4]OXAZINE102226-41-5MFCD080627562H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)SCHEMBL220251SCHEMBL1191190
Weitere Namen anzeigen
[102226-41-5]2H-Pyrido[4,3-b]-1,4-oxazine, 3,4-dihydro-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine oxalate2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI) ISO 9001:2015 REACH
SCHEMBL2122521SCHEMBL4148152SCHEMBL17026938SCHEMBL18229966SCHEMBL20710979DTXSID90619448HKSOYMJNDHHYEI-UHFFFAOYSA-NAKOS006283986
Datenbank-Bezeichner
- CAS
102226-41-5- PubChem CID
- 21885950
- DTXSID
DTXSID90619448- EC Number
- 819-675-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 34,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 118
Physikochemische Eigenschaften
- Dichte
- 1.168 · 1.168
- storage temp.
- 2 · 2-8°C, protect from light
- InChI
- InChI=1S/C7H8N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1-2,5,9H,3-4H2
- InChIKey
- HKSOYMJNDHHYEI-UHFFFAOYSA-N
- SMILES
- O1CCNC2C=NC=CC1=2
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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