Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)co2)CC1- InChIKey
UGZIVTFRKNAYGV-UHFFFAOYSA-N- Summenformel
- C14H20N2O5
- Durchschnittliche Molmasse
- 296,32 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid
- IUPAC
- 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
- Englischer Name
- 2-{1-[(tert-Butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid
- Summenformel
- C14H20N2O5
- Molmasse
- 296.32
Namen und Synonyme
922516-08-32-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid2-(1-((tert-butoxy)carbonyl)piperidin-4-yl)-1,3-oxazole-4-carboxylic acidRefChem:450624895-922-02-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylic acid2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acidSCHEMBL2581432UGZIVTFRKNAYGV-UHFFFAOYSA-NXLB51608MFCD12547280SY532851
Weitere Namen anzeigen
1-Piperidinecarboxylic acid, 4-(4-carboxy-2-oxazolyl)-, 1,1-dimethylethyl ester
DB-201970CS-01298122-(1-Boc-4-piperidyl)oxazole-4-carboxylic AcidEN300-6490905A1-18938Z15057018362-(1-tert-butoxycarbonyl-4-piperidyl)oxazole-4-carboxylic acid2-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylicacid
Datenbank-Bezeichner
- CAS
922516-08-3- PubChem CID
- 67461583
- EC Number
- 895-922-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 92,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 399
Physikochemische Eigenschaften
- Siedepunkt
- 449.7 · 449.7±35.0 °C(Predicted)
- Dichte
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- Aggregatzustand
- solid
- pka
- 3.41 · 3.41±0.10(Predicted)
- InChI
- 1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-15-10(8-20-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
- InChIKey
- UGZIVTFRKNAYGV-UHFFFAOYSA-N
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Anbieter5 Anbieter
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
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