tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate

HCID 7019053

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

tert-Butyl (S)-2-carbamoylpyrrolidine-1-carboxylateRefChem:8919571,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate626-262-135150-07-3boc-pro-nh21-Boc-L-prolinamidetert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylateDL-1-Boc-prolinamide(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylateN-Boc-L-prolinamide(s)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate
Weitere Namen anzeigen
1-Boc-D-proLBOC-L-PRO-NH2BOC-PYRD(2)-NH2Boc-ProliniamideBOC-L-PROLINAMIDEBoc-D-ProlinamideN-Boc-ProlinamideBOC-D-PROLINEAMIDE
MFCD00190827L-1-N-Boc-prolinamideL-1-N-Boc-prolidinamideSCHEMBL240483CS-D1508tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylateN-(tert-Butoxycarbonyl)proline amide(l)-1-n-boc-prolidinamide

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339
Hazard Classes and CategoriesAcute Tox. 4 (93%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339

Sicherheitsdaten

wgk
2
hs_code
2933.99.9701
risk_code
22
hazard_code
Xn
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

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