L-Proline, 4-fluoro-, methyl ester, (4R)- supplier

Name
METHYL (2S,4R)-4-FLUOROPROLINATE
EINECS
CAS No. 126111-11-3
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₆H₁₀FNO₂
Boiling Point 180.7 °C at 760 mmHg
Molecular Weight 147.15
Flash Point 63.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;Methyl (2S,4R)-4-fluoroprolinate;Methyl (4R)-4-fluoro-L-prolinate;
PSA 38.33000
LogP 0.18820

L-Proline, 4-fluoro-, methyl ester, (4R)- Specification

The L-Proline, 4-fluoro-, methyl ester, (4R)-, with the CAS registry number 126111-11-3, is also known as Methyl (2S,4R)-4-fluoroprolinate. It belongs to the product categories of Carboxylicester; Halide. This chemical's molecular formula is C₆H₁₀FNO₂ and molecular weight is 147.15. What's more, its systematic name is methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate.

Physical properties of L-Proline, 4-fluoro-, methyl ester, (4R)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 38.33 Å²; (6)Index of Refraction: 1.438; (7)Molar Refractivity: 33.36 cm³; (8)Molar Volume: 127 cm³; (9)Polarizability: 13.22×10^-24cm³; (10)Surface Tension: 30.9 dyne/cm; (11)Density: 1.15 g/cm³; (12)Flash Point: 63.1 °C; (13)Enthalpy of Vaporization: 41.7 kJ/mol; (14)Boiling Point: 180.7 °C at 760 mmHg; (15)Vapour Pressure: 0.882 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H]1C[C@@H](F)CN1
(2)InChI: InChI=1S/C6H10FNO2/c1-10-6(9)5-2-4(7)3-8-5/h4-5,8H,2-3H2,1H3/t4-,5+/m1/s1
(3)InChIKey: PGEIOIOBHIGEMT-UHNVWZDZSA-N

Product Name

METHYL (2S,4R)-4-FLUOROPROLINATE

L-Proline, 4-fluoro-, methyl ester, (4R)- Specification

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