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86282-96-4

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Basic Information
CAS No.: 86282-96-4
Name: N-Tetradecanoyl-L-proline
Article Data: 6
Molecular Structure:
Molecular Structure of 86282-96-4 (N-Tetradecanoyl-L-proline)
Formula: C19H35NO3
Molecular Weight: 325.492
Synonyms: N-Myristoyl-L-proline;
Density: 1.012 g/cm3
Boiling Point: 488.6 °C at 760 mmHg
Flash Point: 249.3 °C
PSA: 57.61000
LogP: 4.70100
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Specification

The N-Tetradecanoyl-L-proline, with CAS registry number 86282-96-4, has the systematic name of L-proline, 1-(1-oxotetradecyl)-. Besides this, it is also called 1-Tetradecanoyl-L-proline. And the chemical formula of this chemical is C19H35NO3. Its molecular weight is 325.49.

Physical properties of N-Tetradecanoyl-L-proline: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 197.57; (6)ACD/BCF (pH 7.4): 4.42; (7)ACD/KOC (pH 5.5): 491.22; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 57.61 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 92.92 cm3; (15)Molar Volume: 321.3 cm3; (16)Polarizability: 36.83×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 82.65 kJ/mol; (19)Vapour Pressure: 6.98E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O
(2)InChI: InChI=1/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23/h17H,2-16H2,1H3,(H,22,23)/t17-/m0/s1
(3)InChIKey: OFWGTRJQCVYFBE-KRWDZBQOBF
(4)Std. InChI: InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23/h17H,2-16H2,1H3,(H,22,23)/t17-/m0/s1
(5)Std. InChIKey: OFWGTRJQCVYFBE-KRWDZBQOSA-N