tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
Grundinformationen
- CAS
35150-07-3- Standard-SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O- InChIKey
PITJAAIPVBVRAO-ZETCQYMHSA-N- Summenformel
- C10H18N2O3
- Durchschnittliche Molmasse
- 214,26 g/mol
- Monoisotopische Masse
- 214,13174244
Namen und Bezeichner
- Bevorzugter Name
- tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
- Englischer Name
- D-1-N-Boc-prolinamide
- Summenformel
- C10H18N2O3
- Molmasse
- 214.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
35150-07-3- PubChem CID
- 7019053
- DTXSID
DTXSID60956599- ChEMBL
CHEMBL5306371- EC Number
- 626-262-1
- Nikkaji
- J978.678C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 72,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 270
Physikochemische Eigenschaften
- Schmelzpunkt
- 104 · 104-108 °C
- Siedepunkt
- 370.1 · 370.1±31.0 °C(Predicted)
- Dichte
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 15.97 · 15.97±0.20(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Major Application
- peptide synthesis
- InChI
- 1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m0/s1
- InChIKey
- PITJAAIPVBVRAO-ZETCQYMHSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O
- CAS Datenbank
- 35150 · 35150-07-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.
Warning
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 43 reports by companies.;There are 2 notifications provided by 41 of 43 reports by companies with hazard statement code(s).;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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 2
- hs_code
- 2933.99.9701
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
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