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Name |
Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate |
EINECS | N/A |
CAS No. | 885958-67-8 | Density | 1.081 g/cm3 |
PSA | 29.54000 | LogP | 1.86540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H19NO2 | Boiling Point | 302.2 °C at 760 mmHg |
Molecular Weight | 233.31 | Flash Point | 103.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl1-benzyl-4-methylpyrrolidine-3-carboxylate; |
Article Data | 2 |
This chemical is called Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate, and it can also be named as 3-pyrrolidinecarboxylic acid, 4-methyl-1-(phenylmethyl)-, methyl ester. With the molecular formula of C14H19NO2, its molecular weight is 233.31. The CAS registry number of this chemical is 885958-67-8.
Other characteristics of the Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 66.83 cm3; (9)Molar Volume: 215.6 cm3; (10)Polarizability: 26.49×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.081 g/cm3; (13)Flash Point: 103.9 °C; (14)Enthalpy of Vaporization: 54.24 kJ/mol; (15)Boiling Point: 302.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C2CN(Cc1ccccc1)CC2C
2.InChI: InChI=1/C14H19NO2/c1-11-8-15(10-13(11)14(16)17-2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
3.InChIKey: KLQYKJMMAPSQCP-UHFFFAOYAB