Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

HCID 10914256

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Grundinformationen

CAS: 167484-18-6
Standard-SMILES: O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12
InChIKey: XJUPGFXGJQIYQG-UHFFFAOYSA-N
Summenformel: C20H22N2O2
Durchschnittliche Molmasse: 322,4 g/mol
Monoisotopische Masse: 322,16812794

Namen und Bezeichner

Bevorzugter Name: Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
IUPAC: benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
Englischer Name: 1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE)
Summenformel: C20H22N2O2
Molmasse: 322.4

Namen und Synonyme

benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylatebenzyl 1,2-dihydrospiro(indole-3,4'-piperidine)-1'-carboxylateRefChem:566555848-470-3167484-18-6Benzyl spiro[indoline-3,4'-piperidine]-1'-carboxylate1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE)1'-CBZ-SPIRO[INDOLINE-3,4'-PIPERIDINE]MFCD06738866Benzyl Spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylateSPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID, 1,2-DIHYDRO-, PHENYLMETHYL ESTER1/'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4/'-PIPERIDINE)

Weitere Namen anzeigen

1'-Cbz-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]1'-N-Cbz-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]Benzyl spiro[indoline-3,4'-piperidine]-1'-carboxylate - B10565Spiro[indoline-3,4'-piperidine]-1'-carboxylic Acid Benzyl Ester6-Aza-spiro[2.5]octane-1,6-dicarboxylic acid 6-tert-butyl ester

XJUPGFXGJQIYQG-UHFFFAOYSA-Nbenzylspiro[indoline-3,4'-piperidine]-1'-carboxylateSCHEMBL1196005SCHEMBL1196006DTXSID201151979AKOS015899319PB26234AC-30834

Datenbank-Bezeichner

CAS: 167484-18-6
PubChem CID: 10914256
DTXSID: DTXSID201151979
EC Number: 848-470-3
Nikkaji: J891.226B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 24
Formalladung: 0
Komplexität: 439

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-120 °C
Siedepunkt: 505.2 · 505.2±50.0 °C(Predicted)
Dichte: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 5.3 · 5.30±0.20(Predicted)
Farbe: White to Yellow to Green

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.