1-Boc-piperidine-3-carboxaldehyde

HCID 9964448CAS 118156-93-7

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCCC(C=O)C1
InChIKey: CTVHINDANRPFIL-UHFFFAOYSA-N
Summenformel: C11H19NO3
Durchschnittliche Molmasse: 213,27 g/mol
Monoisotopische Masse: 213,13649347

Namen und Bezeichner

Bevorzugter Name: 1-Boc-piperidine-3-carboxaldehyde
IUPAC: tert-butyl 3-formylpiperidine-1-carboxylate
Englischer Name: 1-BOC-3-PIPERIDINECARBOXALDEHYDE
Summenformel: C11H19NO3
Molmasse: 213.27

Namen und Synonyme

1-BOC-PIPERIDINE-3-CARBOXALDEHYDERefChem:430117688-958-1118156-93-7Tert-butyl 3-formylpiperidine-1-carboxylate1-Boc-3-piperidinecarboxaldehyde1-Boc-3-formylpiperidineMFCD021790203-Formylpiperidine-1-carboxylic acid tert-butyl ester3-FORMYL-N-(TERT-BUTOXYCARBONYL)PIPERIDINE1-PIPERIDINECARBOXYLIC ACID, 3-FORMYL-, 1,1-DIMETHYLETHYL ESTERDTXSID40922616

Weitere Namen anzeigen

CAS:118156-93-7BUTTPARK 147\06-011-BOC-3-PIPERIDINECA1-BOC-3-PIPERIDINECARN-BOC-3-FORMYLPIPERIDINE3-ForMyl-N-BOCpiperidine1-Boc-3-ForMyl-piperidine 97%

SB23204N-tert-butoxycarbonyl-3-formylpiperidineBoc-3-piperidinecarboxaldehyde1-(t-butoxycarbonyl)-3-piperidinecarboxaldehyde3-Formyl-piperidine-1-carboxylic acid tert-butyl ester1-N-BOC-3-FORMYLPIPERIDINEPIPERIDINE-3-CARBOXALDEHYDE, N-BOC PROTECTED1-Boc-3-piperidine

Datenbank-Bezeichner

CAS: 118156-93-7
PubChem CID: 9964448
DTXSID: DTXSID40922616
EC Number: 688-958-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 46,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 245

Physikochemische Eigenschaften

Siedepunkt: 295.4 · 295.4±33.0 °C(Predicted)
Dichte: 1.114 · 1.114±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: liquid
pka: -2.29 · -2.29±0.40(Predicted)
Farbe: Clear, light yellow
InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h8-9H,4-7H2,1-3H3
InChIKey: CTVHINDANRPFIL-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(C=O)C1
CAS Datenbank: 118156 · 118156-93-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.