3-(Boc-amino)oxetane-3-carboxylic acid

HCID 56592969

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Grundinformationen

CAS: 1159736-25-0
Standard-SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)COC1
InChIKey: IIINBAWOESLQTR-UHFFFAOYSA-N
Summenformel: C9H15NO5
Durchschnittliche Molmasse: 217,22 g/mol
Monoisotopische Masse: 217,09502258

Namen und Bezeichner

Bevorzugter Name: 3-(Boc-amino)oxetane-3-carboxylic acid
IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid
Englischer Name: 3-Boc-aMino-3-oxetanecarboxylic acid
Summenformel: C9H15NO5
Molmasse: 217.22

Namen und Synonyme

3-(BOC-AMINO)OXETANE-3-CARBOXYLIC ACIDRefChem:494339817-785-81159736-25-03-((TERT-BUTOXYCARBONYL)AMINO)OXETANE-3-CARBOXYLIC ACID3-{[(tert-butoxy)carbonyl]amino}oxetane-3-carboxylic acidMFCD172159053-Boc-amino-3-oxetanecarboxylic acid3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid3-(BOC-AMINO)-3-OXETANECARBOXYLIC ACID3-Oxetanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(tert-butoxycarbonylamino)oxetane-3-carboxylic acid

Weitere Namen anzeigen

3-(Boc-aMino)-3-oxetaneca...3-Aminooxetane-3-carboxylicacid,N-BOCprotected3-[[(tert-Butoxy)carbonyl]amino]-3-oxetanecarboxylic acid3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-Oxetanecarboxylic acid3-((tert-Butoxycarbonyl)amino)oxetane-3-carboxylic acid - [B6662]

3-[(tert-Butoxycarbonyl)amino]oxetane-3-carboxylic acid3-((tert-Butoxycarbonyl)amino)oxetane-3-carboxylicacidSCHEMBL2392035DTXSID30717775IIINBAWOESLQTR-UHFFFAOYSA-NAKOS016015857PB27139AS-38440

Datenbank-Bezeichner

CAS: 1159736-25-0
PubChem CID: 56592969
DTXSID: DTXSID30717775
EC Number: 817-785-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 84,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 277

Physikochemische Eigenschaften

Siedepunkt: 382.4 · 382.4±42.0 °C(Predicted)
Dichte: 1.26 · 1.26
storage temp.: 2 · 2-8°C(protect from light)
pka: 3.14 · 3.14±0.20(Predicted)
Aggregatzustand: solid
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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]；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, 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.