tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
Grundinformationen
- CAS
236406-39-6- Standard-SMILES
CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1- InChIKey
MGHFVXFMQGQAKJ-UHFFFAOYSA-N- Summenformel
- C13H24N2O2
- Durchschnittliche Molmasse
- 240,34 g/mol
- Monoisotopische Masse
- 240,18377801
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
- IUPAC
- tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
- Englischer Name
- 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
- Summenformel
- C13H24N2O2
- Molmasse
- 240.34
Namen und Synonyme
236406-39-6tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylateDTXSID20632524tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylateRefChem:383143DTXCID90583276823-225-38-Boc-2,8-Diazaspiro[4.5]decaneMFCD096080788-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
Weitere Namen anzeigen
2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester - D5994D671588-Boc-2,8-diaza-spiro[4.5...8-N-Boc-2,8-diaza-spiro[4.5]decanetert-Butyl 2,8-diazaspiro[4.5]decan-8-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-8-carboxylate2,8-Diazaspiro[4,5]decane-8-carboxylate tert-butyl ester1,1-Dimethylethyl 2,8-diazaspiro[4.5]decane-8-carboxylate
2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl esterSCHEMBL484585CS-WAA0067orb3176641MGHFVXFMQGQAKJ-UHFFFAOYSA-NAKOS005146290CS-W009182
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 288
Physikochemische Eigenschaften
- Siedepunkt
- 337 · 337.0±35.0 °C(Predicted)
- Dichte
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 11.04 · 11.04±0.20(Predicted)
- InChI
- InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13/h14H,4-10H2,1-3H3
- InChIKey
- MGHFVXFMQGQAKJ-UHFFFAOYSA-N
- SMILES
- C1C2(CCN(C(OC(C)(C)C)=O)CC2)CCN1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 29339900
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemie und Industrie
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