Methyl 1-Methyl-4-piperidinecarboxylate

HCID 3616844CAS 1690-75-1

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Grundinformationen

Standard-SMILES: COC(=O)C1CCN(C)CC1
InChIKey: KYAOKPRJTMFBTQ-UHFFFAOYSA-N
Summenformel: C8H15NO2
Durchschnittliche Molmasse: 157,21 g/mol
Monoisotopische Masse: 157,11027872

Namen und Bezeichner

Bevorzugter Name: Methyl 1-Methyl-4-piperidinecarboxylate
IUPAC: methyl 1-methylpiperidine-4-carboxylate
Englischer Name: N-Methyl-4-piperidinecarboxylic acid methyl ester
Summenformel: C8H15NO2
Molmasse: 157.21

Namen und Synonyme

4-Piperidinecarboxylic acid, 1-methyl-, methyl esterMethyl 1-Methyl-4-piperidinecarboxylateRefChem:812753834-601-1Methyl 1-methylpiperidine-4-carboxylate1690-75-1MFCD06658483N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER1-Methyl-piperidine-4-carboxylic acid methyl esterMethyl N-methyl-4-piperidinecarboxylateMethyl N-methylisonipecotinateMethyl1-methylpiperidine-4-carboxylate

Weitere Namen anzeigen

1-methylisonipecotic acid methyl esterMethyl N-methylPiperidine-4-carboxylate1N-methyl piperidine-4-carboxylate, methyl esterMethyl-4-piperidine carboxylic acid methyl esterN-METHYLPIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER1-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER

BL000686SY016044CS-00200791-methyl-4-piperidinecarboxylic acid, methyl esterPeridine Impurity 15FT-0602459methyl 1-methylisonipecotateA811053

Datenbank-Bezeichner

CAS: 1690-75-1
PubChem CID: 3616844
DTXSID: DTXSID70394342
EC Number: 834-601-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 202 °C · 202°C(lit.)
Dichte: 1.0806 · 1.0806 (rough estimate)
Brechungsindex: 1.452 to · 1.4520 to 1.4560
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 8.43 · 8.43±0.10(Predicted)
Farbe: Colorless to Light yellow
InChI: InChI=1S/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3
InChIKey: KYAOKPRJTMFBTQ-UHFFFAOYSA-N
SMILES: N1(C)CCC(C(OC)=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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