L-Proline, 5-oxo-,tridecyl ester supplier

Name
tridecyl 5-oxo-L-prolinate
EINECS 253-594-0
CAS No. 37673-26-0
Article Data4
CAS DataBase
Density 0.982 g/cm³
Solubility
Melting Point
Formula C₁₈H₃₃NO₃
Boiling Point 450.5 °C at 760 mmHg
Molecular Weight 311.465
Flash Point 226.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-5-Oxopyrrolidine-2-carboxylic acid tridecyl ester;
PSA 58.89000
LogP 4.39510

L-Proline, 5-oxo-,tridecyl ester Specification

The L-Proline, 5-oxo-,tridecyl ester, with the CAS registry number of 37673-26-0, is also known as (S)-5-Oxopyrrolidine-2-carboxylic acid tridecyl ester. Its EINECS registry number is 253-594-0. Its molecular formula is C₁₈H₃₃NO₃ and molecular weight is 311.45952. What's more, its systematic name is Tridecyl 5-oxo-L-prolinate.

Physical properties about the L-Proline, 5-oxo-,tridecyl ester are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1423.66; (6)ACD/BCF (pH 7.4): 1423.66; (7)ACD/KOC (pH 5.5): 6292.26; (8)ACD/KOC (pH 7.4): 6292.26; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 88.47 cm³; (15)Molar Volume: 316.9 cm³; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 0.982 g/cm³; (18)Flash Point: 226.2 °C; (19)Enthalpy of Vaporization: 70.93 kJ/mol; (20)Boiling Point: 450.5 °C at 760 mmHg; (21)Vapour Pressure: 2.63E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCC)[C@@H]1CCC(=O)N1
(2) InChI: InChI=1/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20)/t16-/m0/s1
(3) InChIKey: OZOVXOAZDQCMAM-INIZCTEOBK

Product Name

tridecyl 5-oxo-L-prolinate

L-Proline, 5-oxo-,tridecyl ester Specification

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