Methyl pipecolinate

HCID 3463753CAS 41994-45-0

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Grundinformationen

Standard-SMILES: COC(=O)C1CCCCN1
InChIKey: CXQTTWVBUDFUNO-UHFFFAOYSA-N
Summenformel: C7H13NO2
Durchschnittliche Molmasse: 143,18 g/mol
Monoisotopische Masse: 143,09462866

Namen und Bezeichner

Bevorzugter Name: Methyl pipecolinate
IUPAC: methyl piperidine-2-carboxylate
Englischer Name: Methyl 2-piperidinecarboxylate
Summenformel: C7H13NO2
Molmasse: 143.18

Namen und Synonyme

methyl pipecolinateRefChem:81804741994-45-0Methyl 2-piperidinecarboxylateMethyl Piperidine-2-carboxylateMFCD073643472-Carbomethoxy piperidine2-Piperidinecarboxylic acid, methyl ester, hydrochloride2-Piperidinecarboxylic acid methyl ester(R)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTERMethyl2-piperidinecarboxylatePiperidine-2-carboxylic acid methyl ester

Weitere Namen anzeigen

Methylpipecolinate2-PiperidinecarboxylicArgatroban Impurity 1682-piperidinecarboxylate2 - piperidine Methyl forMate2-Piperidinecarboxylic acid methylPiperidine-2-carboxylate, methyl ester

methyl pipecolateMethyl a-pipecolinatepipecolic acid methyl esterSCHEMBL40033methylpiperidine-2-carboxylateCHEMBL75565DL-Pipecolic acid methyl esterSCHEMBL1219868

Datenbank-Bezeichner

CAS: 41994-45-0
PubChem CID: 3463753
DTXSID: DTXSID40392714
ChEMBL: CHEMBL75565
EC Number: 803-842-4
Nikkaji: J345.002C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Siedepunkt: 193.8 · 193.8±33.0 °C(Predicted)
Dichte: 1.021 · 1.021±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 8.27 · 8.27±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Pale yellow
CAS Datenbank: 41994 · 41994-45-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.