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Cas Database |
| Name |
Methyl N-benzyl-3-pyrrolidinecarboxylate |
EINECS | N/A |
| CAS No. | 17012-21-4 | Density | 1.121 g/cm3 |
| PSA | 29.54000 | LogP | 1.61940 |
| Solubility | Sparingly soluble in water.(0.26 g/L) (25°C), | Melting Point |
N/A |
| Formula | C13H17NO2 | Boiling Point | 292.096 °C at 760 mmHg |
| Molecular Weight | 219.283 | Flash Point | 104.792 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Pyrrolidinecarboxylicacid, 1-benzyl-, methyl ester (6CI,8CI);1-Benzylpyrrolidine-3-carboxylatemethyl ester;1-Benzylpyrrolidine-3-carboxylic acid methyl ester;Methyl1-benzyl-3-pyrrolidinecarboxylate; |
Article Data | 24 |
Methyl N-benzyl-3-pyrrolidinecarboxylate Chemical Properties
Molecular Structure of Methyl N-benzyl-3-pyrrolidinecarboxylate (17012-21-4):
IUPAC Name: Methyl 1-benzylpyrrolidine-3-carboxylate
Molecular Formula: C13H17NO2
Molecular Weight: 219.27958 g/mol
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: COC(=O)C1CCN(C1)CC2=CC=CC=C2
InChI: InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey: GDWFCUOFVSNTTG-UHFFFAOYSA-N
Index of Refraction: 1.547
Molar Refractivity: 62.13 cm3
Molar Volume: 195.6 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.12 g/cm3
Flash Point: 104.8 °C
Boiling Point: 292.1 °C at 760 mmHg
Enthalpy of Vaporization: 53.16 kJ/mol
Vapour Pressure: 0.00187 mmHg at 25 °C
Water Solubility: 5881 mg/L at 25 °C
Methyl N-benzyl-3-pyrrolidinecarboxylate Specification
Methyl N-benzyl-3-pyrrolidinecarboxylate (17012-21-4) is also called for Methyl 1-benzylpyrrolidine-3-carboxylate ; M30350 ; 3-Polidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester ; Methyl 1-benzyl-3-pyrrolidinecarboxylate ; Methyl-1-benzylpyrrolidin-3-carboxylat . Methyl N-benzyl-3-pyrrolidinecarboxylate (17012-21-4) is used in pharmaceticals.
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