tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

HCID 53302318

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Grundinformationen

CAS: 930785-40-3
Standard-SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2
InChIKey: FRROFBJYHIEDPS-UHFFFAOYSA-N
Summenformel: C13H24N2O3
Durchschnittliche Molmasse: 256,34 g/mol
Monoisotopische Masse: 256,17869263

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC: tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Englischer Name: tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Summenformel: C13H24N2O3
Molmasse: 256.34

Namen und Synonyme

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylateDTXSID20693372RefChem:892106DTXCID60644121930785-40-39-Boc-1-oxa-4,9-diazaspiro[5.5]undecaneMFCD11227065SCHEMBL996189tert-Butyl 1-oxa-4,9-diazaspiro-[5.5]undecane-9-carboxylate1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERTERT-BUTYL1-OXALBB-027710

Weitere Namen anzeigen

EOS-622381-Oxa-9-Boc-4,9-diazaspiro[5.5]undecane1-Oxa-4,9-diazaspiro[5.5]undecane,N9-BOCprotectedtert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecan-9-carboxylatetert-butyl1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate 1-1,1-Dimethylethyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylatetert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate - [B13035]

TERT-BUTYL1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE1-oxa-4,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl esterAKOS015900842CS-W005674PB22496SDCCGSBI-0663179.P001AC-31611DS-12165

Datenbank-Bezeichner

CAS: 930785-40-3
PubChem CID: 53302318
DTXSID: DTXSID20693372
EC Number: 801-986-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 50,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 304

Physikochemische Eigenschaften

Siedepunkt: 364.2 · 364.2±42.0 °C(Predicted)
Dichte: 1.11 · 1.11
storage temp.: 2 · 2-8°C
pka: 8.82 · 8.82±0.20(Predicted)
Aggregatzustand: crystalline powder
Farbe: White
InChI: InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3
InChIKey: FRROFBJYHIEDPS-UHFFFAOYSA-N
SMILES: O1C2(CCN(C(OC(C)(C)C)=O)CC2)CNCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.；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.