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Cas Database |
| Name |
N-Benzyl-3-pyrrolidinecarboxylic acid |
EINECS | N/A |
| CAS No. | 5731-18-0 | Density | 1.205 g/cm3 |
| PSA | 40.54000 | LogP | 1.53100 |
| Solubility | N/A | Melting Point |
106-108 °C(Solv: methanol (67-56-1); acetone (67-64-1)) |
| Formula | C12H15NO2 | Boiling Point | 343.078 °C at 760 mmHg |
| Molecular Weight | 205.257 | Flash Point | 161.288 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Pyrrolidinecarboxylicacid, 1-benzyl- (6CI,7CI,8CI);1-Benzylpyrrolidine-3-carboxylic acid; |
Article Data | 4 |
N-Benzyl-3-pyrrolidinecarboxylic acid Chemical Properties
IUPAC Name: 1-benzylpyrrolidine-3-carboxylic acid
Empirical Formula: C12H15NO2
Molecular Weight: 205.253g/mol
Structure of 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)- (CAS NO.5731-18-0):
Index of Refraction: 1.587
Molar Refractivity: 57.28 cm3
Molar Volume: 170.3 cm3
Polarizability: 22.71×10-24cm3
Surface Tension: 53.6 dyne/cm
Density: 1.205 g/cm3
Flash Point: 161.3 °C
Enthalpy of Vaporization: 61.94 kJ/mol
Boiling Point: 343.1 °C at 760 mmHg
Vapour Pressure: 2.76E-05 mmHg at 25°C
Product Categories: pharmacetical;Carboxylic Acids;Pyrrolidines;Pyrrole&Pyrrolidine&Pyrroline;Carboxylic Acids
Canonical SMILES: C1CN(CC1C(=O)O)CC2=CC=CC=C2
InChI: InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey: RLRDUQNUBMAYDS-UHFFFAOYSA-N
N-Benzyl-3-pyrrolidinecarboxylic acid Safety Profile
Hazard Codes: 
Xi
HazardClass: IRRITANT, HYGROSCOPIC
N-Benzyl-3-pyrrolidinecarboxylic acid Specification
3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)- , its cas register number is 5731-18-0. It also can be called 1-Benzyl-3-pyrrolidinecarboxylic acid ; 1-Benzylpyrrolidine-3-carboxylic acid ; Acide 1-benzylpyrrolidine-3-carboxylique .
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