trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate supplier

Name
trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
EINECS
CAS No. 939758-17-5
Article Data2
CAS DataBase
Density 1.117g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₃
Boiling Point 348.1 °C at 760 mmHg
Molecular Weight 235.283
Flash Point 164.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Trans-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
PSA 47.56000
LogP 1.50000

trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate Specification

The trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate, with cas registry number 939758-17-5, has the systematic name of methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate. And its IUPAC name is the same one.

Physical properties about this chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.68; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 63.86 cm³; (15)Molar Volume: 210.5 cm³; (16)Polarizability: 25.31×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Enthalpy of Vaporization: 59.25 kJ/mol; (19)Vapour Pressure: 5.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2CNCC2c1ccc(OC)cc1
(2)InChI: InChI=1/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
(3)InChIKey: YZBHPTZUARKXKZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
(5)Std. InChIKey: YZBHPTZUARKXKZ-UHFFFAOYSA-N

Product Name

trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate

trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate Specification

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