Tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate
Grundinformationen
- CAS
928754-14-7- Standard-SMILES
CC(C)(C)OC(=O)N1CCC2CNC2C1- InChIKey
VGJOEEIXDPWTAZ-UHFFFAOYSA-N- Summenformel
- C11H20N2O2
- Durchschnittliche Molmasse
- 212,29 g/mol
- Monoisotopische Masse
- 212,15247789
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate
- IUPAC
- tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate
- Englischer Name
- 3-Boc-3,8-diazabicyclo[4.2.0]octane
- Summenformel
- C11H20N2O2
- Molmasse
- 212.29
Namen und Synonyme
928754-14-7tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylatetert-butyl 3,8-diazabicyclo(4.2.0)octane-3-carboxylateRefChem:892725846-128-83-BOC-3,8-DIAZABICYCLO[4.2.0]OCTANEMFCD09056864370881-06-4SCHEMBL1586009TERT-BUTYL 3,8-DIAZABICYCLO[4.2.0]OCTANE-3rel-((1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate)tert-Butyl3,8-diazabicyclo[4.2.0]octane-3-carboxylate
Weitere Namen anzeigen
3-Boc-3,8-diazabicyclo[4.2.0]octane - [B7988]3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid 1,1-dimethylethyl ester
VGJOEEIXDPWTAZ-UHFFFAOYSA-N3-Boc-3,8-diazabicyclo[4....2-Methyl-2-propanyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylateAKOS015901403PB10653PB27201PB34935AS-41231
Datenbank-Bezeichner
- CAS
928754-14-7- PubChem CID
- 43810891
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 260
Physikochemische Eigenschaften
- Siedepunkt
- 295.4 · 295.4±13.0 °C(Predicted)
- Dichte
- 1.076 · 1.076±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.81 · 10.81±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
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