Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
Grundinformationen
- CAS
886766-40-1- Standard-SMILES
CC(C)(C)OC(=O)N1CCNCC12CCCC2- InChIKey
ZFRIOZGQSDKGRT-UHFFFAOYSA-N- Summenformel
- C13H24N2O2
- Durchschnittliche Molmasse
- 240,34 g/mol
- Monoisotopische Masse
- 240,18377801
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- IUPAC
- tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- Englischer Name
- Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- Summenformel
- C13H24N2O2
- Molmasse
- 240.34
Namen und Synonyme
886766-40-1TERT-BUTYL 6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATEtert-butyl 6,9-diazaspiro(4.5)decane-6-carboxylateRefChem:894284102-025-36,9-DIAZA-SPIRO[4.5]DECANE-6-CARBOXYLIC ACID TERT-BUTYL ESTER6,9-Diazaspiro[4.5]decane-6-carboxylic acid, 1,1-dimethylethyl esterMFCD08685936SCHEMBL10277023ZFRIOZGQSDKGRT-UHFFFAOYSA-N6-Boc-6,9-diazaspiro[4.5]decaneAB46151
Weitere Namen anzeigen
SY292568DB-160393CS-0030288G79631F601540TERT-BUTYL6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE
Datenbank-Bezeichner
- CAS
886766-40-1- PubChem CID
- 68089093
- EC Number
- 102-025-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 290
Physikochemische Eigenschaften
- Siedepunkt
- 337 · 337.0±17.0 °C(Predicted)
- Dichte
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.09 · 10.09±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Chemie und Industrie
Anwendungen
BeschreibungTert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate is a key intermediate in the synthesis of inhibitors of the renal extra-medullary potassium channel (ROMK), also known as the Kir1.1 channel.
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