1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

HCID 22562205CAS 132414-81-4

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CC2CCNC2C1
InChIKey: NYGXZCRPVBPJTA-UHFFFAOYSA-N
Summenformel: C11H20N2O2
Durchschnittliche Molmasse: 212,29 g/mol
Monoisotopische Masse: 212,15247788

Namen und Bezeichner

Bevorzugter Name: 1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
IUPAC: tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
Englischer Name: TERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
Summenformel: C11H20N2O2
Molmasse: 212.29

Namen und Synonyme

132414-81-41,1-Dimethylethyl hexahydropyrrolo(3,4-b)pyrrole-5(1H)-carboxylate1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylateRefChem:2139395-Boc-hexahydropyrrolo[3,4-b]pyrroletert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate5-N-Boc-Hexahydro-pyrrolo[3,4-b]pyrroleMFCD08235016tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylatetert-butyl octahydropyrrolo[3,4-b]pyrrole-5-carboxylatePyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl esterHexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

Weitere Namen anzeigen

Tert-butyl 2,7-diazabicyclo[3.3.0]octan-7-carboxylatet-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMtert-Butyl hexahydropyrrolo3,4-bpyrrol-5(1H)-carboxylateTERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATHexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

AKOS015854423CS-W003478AC-30763cis-5-Boc-hexahydropyrrolo[3,4-b]pyrrolecis-hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester(3AR,6aR)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylatetert-butyl (3aRS,6aRS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate(3aR, 6aR)-Hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 132414-81-4、370882-55-6
PubChem CID: 22562205
DTXSID: DTXSID70927674
EC Number: 808-415-6、884-854-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 260

Physikochemische Eigenschaften

Siedepunkt: 295.4 · 295.4±13.0 °C(Predicted)
Dichte: 1.076 · 1.076±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 10.72 · 10.72±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.