Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate supplier

Name
METHYL-1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLATE
EINECS
CAS No. 885958-67-8
Article Data2
CAS DataBase
Density 1.081 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₂
Boiling Point 302.2 °C at 760 mmHg
Molecular Weight 233.31
Flash Point 103.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl1-benzyl-4-methylpyrrolidine-3-carboxylate;
PSA 29.54000
LogP 1.86540

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate Specification

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

Product Name

METHYL-1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLATE

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate Specification

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