2-Oxa-6-azaspiro[3.3]heptane
Grundinformationen
- CAS
174-78-7- Standard-SMILES
C1NCC12COC2- InChIKey
HPJALMWOZYIZGE-UHFFFAOYSA-N- Summenformel
- C5H9NO
- Durchschnittliche Molmasse
- 99,13 g/mol
- Monoisotopische Masse
- 99,06841391
Namen und Bezeichner
- Bevorzugter Name
- 2-Oxa-6-azaspiro[3.3]heptane
- IUPAC
- 2-oxa-6-azaspiro[3.3]heptane
- Englischer Name
- 2-oxa-6-azaspiro[3.3]heptane
- Summenformel
- C5H9NO
- Molmasse
- 99.13
Namen und Synonyme
2-oxa-6-azaspiro[3.3]heptane174-78-7DTXSID906306582-Oxa-6-azaspiro(3.3)heptaneRefChem:264537DTXCID50581410833-759-92-oxa-6-aza-spiro[3.3]heptaneMFCD12407093SCHEMBL16206SCHEMBL285650SCHEMBL2171973
Weitere Namen anzeigen
2-OXA-6-AZASPIRO[3.3]HEPTANE HCL2-oxa-6-azaspiro[3.3]heptanes oxalate2-Oxa-6-azaspiro[3.3]heptane (8CI, 9CI, ACI)2-oxa-6-azaspiro[3.3]heptanes (ForM: oxalate)2-oxa-6-azaspiro[3,3]heptanes oxalic acid salt2-Oxa-6-aza-spiro[3.3]heptane oxalic acid salt2-oxa-1H-pyrrolo[2,3-c]pyridinespiro[3.3]heptane
SCHEMBL193484222-oxa-6-azaspiro[3,3]heptane6-Oxa-2-azaspiro[3.3]heptaneHPJALMWOZYIZGE-UHFFFAOYSA-NSMSSF-0613784AKOS006345925FO146350PS-20188
Datenbank-Bezeichner
- CAS
174-78-7- PubChem CID
- 23111887
- DTXSID
DTXSID90630658- EC Number
- 833-759-9
- Nikkaji
- J3.449.394D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 21,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 82,1
Physikochemische Eigenschaften
- Siedepunkt
- 166 ℃ · 166℃
- Dichte
- 1.12 · 1.12
- Brechungsindex
- 1.475 to · 1.4750 to 1.4790
- Flammpunkt
- 51 ℃ · 51℃
- storage temp.
- 2 · 2-8°C(protect from light)
- Aggregatzustand
- clear liquid
- pka
- 9.73 · 9.73±0.20(Predicted)
- Farbe
- Colorless to Almost colorless
- InChI
- InChI=1S/C5H9NO/c1-5(2-6-1)3-7-4-5/h6H,1-4H2
- InChIKey
- HPJALMWOZYIZGE-UHFFFAOYSA-N
- SMILES
- C1C2(CNC2)CO1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)
Sicherheitsdaten
- ridadr
- UN 1993 3/PG III
- hs_code
- 2933399990
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
Verwenden2-Oxa-6-azaspiro[3.3]heptane is primarily used as a pharmaceutical intermediate, particularly as a compact spirocyclic building block in drug development.
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