Ethyl-4-piperidincarboxylat
Ethyl 4-piperidinecarboxylate
Grundinformationen
- CAS
1126-09-6- Standard-SMILES
CCOC(=O)C1CCNCC1- InChIKey
RUJPPJYDHHAEEK-UHFFFAOYSA-N- Summenformel
- C8H15NO2
- Durchschnittliche Molmasse
- 157,21 g/mol
- Monoisotopische Masse
- 157,11027872
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 4-piperidinecarboxylate
- IUPAC
- ethyl piperidine-4-carboxylate
- Lokaler Name
- Ethyl-4-piperidincarboxylat
- Englischer Name
- Ethyl 4-piperidinecarboxylate
- Summenformel
- C8H15NO2
- Molmasse
- 157.21
Namen und Synonyme
Ethyl piperidine-4-carboxylate1126-09-6Ethyl 4-piperidinecarboxylateEthyl isonipecotate4-CarbethoxypiperidineEINECS 214-416-7DTXSID90150109NSC 93792RefChem:138794DTXCID9072600214-416-7RUJPPJYDHHAEEK-UHFFFAOYSA-N
Weitere Namen anzeigen
Ethyl isonipcotinate4-piperidinecarboxylateH-Nip-OEtH-DL-Inp-OEtAKOS MSC-0737RARECHEM AH CK 0180
Piperidine-4-carboxylic acid ethyl esterMFCD000060034-Piperidinecarboxylic acid, ethyl esterIsonipecotic Acid Ethyl Esterethylpiperidine-4-carboxylate4-Carboethoxypiperidine4-Piperidinecarboxylic Acid Ethyl EsterEthylisonipecotate
Datenbank-Bezeichner
- CAS
1126-09-6- PubChem CID
- 70770
- DTXSID
DTXSID90150109- ChEMBL
CHEMBL2251608- UNII
- DZ369E63UB
- EC Number
- 214-416-7
- Nikkaji
- J27.969B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 130
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDielectric constant
Physikochemische Eigenschaften
- Siedepunkt
- 204 °C · 204 °C(lit.)
- Dichte
- 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
- Dampfdruck
- 39.4 Pa · 39.4Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.459(lit.)
- Flammpunkt
- 176 °F · 176 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Liquid
- pka
- 9.83 · 9.83±0.10(Predicted)
- Farbe
- Clear colorless to slightly brown
- Wasserlöslichkeit
- miscible
- BRN
- 118419 · 118419
- InChI
- InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19718
Ethyl 4-piperidinecarboxylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 29333999
- risk_code
- 34-36/37/38
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25-36-26
Chemie und Industrie
Anwendungen
VerwendenReactant for synthesis of:• ;SMN protein modulators1• ;β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjugate addition2• ;Nitroethylenediamines by nucleophilic ring opening of nitroimidazolidinone3• ;RhoA inhibitors for cardiovascular disease therapy4• ;Saccharin derived Mannich bases as antimicrobials and antioxidants5Reactant for one-pot reductive amination and Suzuki-Miyaura cross coupling of formyl aryl and heteroaryl MIDA boronates6
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