tert-Butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

HCID 22744549

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 240401-09-6
Standard-SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CO2
InChIKey: HCDWHGFENXBNSC-UHFFFAOYSA-N
Summenformel: C13H23NO4
Durchschnittliche Molmasse: 257,33 g/mol
Monoisotopische Masse: 257,16270822

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
IUPAC: tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Englischer Name: N-Boc-1-oxa-8-aza-spiro[4.5]decan-3-ol
Summenformel: C13H23NO4
Molmasse: 257.33

Namen und Synonyme

240401-09-6tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylateDTXSID10628012tert-Butyl 3-hydroxy-1-oxa-8-azaspiro(4.5)decane-8-carboxylateRefChem:383398DTXCID10578765676-417-2N-BOC-1-OXA-8-AZA-SPIRO[4.5]DECAN-3-OLMFCD09749842N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol3-Hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester8-Boc-3-hydroxy-1-oxa-8-azaspiro[4.5]decane

Weitere Namen anzeigen

benzyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylatetert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxyla...3-Hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester - [H6090]1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-hydroxy-, 1,1-diMethylethyl ester

1-Oxa-8-azaspiro[SCHEMBL897951HCDWHGFENXBNSC-UHFFFAOYSA-NCS-D0632QJA40109AKOS015841273tert-butyl (3RS)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylatePB16158

Datenbank-Bezeichner

CAS: 240401-09-6
PubChem CID: 22744549
DTXSID: DTXSID10628012
EC Number: 676-417-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 315

Physikochemische Eigenschaften

Siedepunkt: 391 · 391.0±42.0 °C(Predicted)
Dichte: 1.16 · 1.16
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 14.34 · 14.34±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.