Ethyl-4-piperidincarboxylat

Ethyl 4-piperidinecarboxylate

HCID 70770CAS 1126-09-6

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Grundinformationen

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 Å²
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
InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N
SMILES: N1CCC(C(OCC)=O)CC1
LogP: 1.15 · 1.15
CAS Datenbank: 1126 · 1126-09-6(CAS DataBase Reference)
NIST chemische Informationen: -4 · Ethyl piperidine-4-carboxylate(1126-09-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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 · 1 Eintrag

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