1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester
Grundinformationen
- CAS
181114-98-7- Standard-SMILES
COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C- InChIKey
KLQYKJMMAPSQCP-DGCLKSJQSA-N- Summenformel
- C14H19NO2
- Durchschnittliche Molmasse
- 233,31 g/mol
- Monoisotopische Masse
- 233,14157885
Namen und Bezeichner
- Bevorzugter Name
- 1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester
- IUPAC
- methyl (3S,4S)-1-benzyl-4-methylpyrrolidine-3-carboxylate
- Englischer Name
- 1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester
- Summenformel
- C14H19NO2
- Molmasse
- 233.31
Namen und Synonyme
181114-98-71-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl esterrac-methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylateRefChem:429940800-960-8827-550-1methyl (3S,4S)-1-benzyl-4-methylpyrrolidine-3-carboxylate(3S,4S)-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylateMFCD224205583-Pyrrolidinecarboxylic acid, 4-methyl-1-(phenylmethyl)-, methyl ester, (3S-trans)- (9CI)(3S,4S)-methyl1-benzyl-4-methylpyrrolidine-3-carboxylatemethyl trans-1-benzyl-4-methylpyrrolidine-3-carboxylate
Weitere Namen anzeigen
EOS-62037
KLQYKJMMAPSQCP-DGCLKSJQSA-NSCHEMBL875284AC6199AKOS025289814SS-4668SY099628DB-309934CS-0058616
Datenbank-Bezeichner
- CAS
181114-98-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 261
Physikochemische Eigenschaften
- Siedepunkt
- 302.2 · 302.2±35.0 °C(Predicted)
- Dichte
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.38 · 8.38±0.60(Predicted)
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
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