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Basic Information
CAS No.: 848390-99-8
Name: N-Tetradecanoyl-4-hydroxy-L-proline
Molecular Structure:
Molecular Structure of 848390-99-8 (N-Tetradecanoyl-4-hydroxy-L-proline)
Formula: C19H35NO4
Molecular Weight: 341.49
Synonyms: L-proline, 4-hydroxy-1-(1-oxotetradecyl)-;4-Hydroxy-1-tetradecanoyl-L-proline;
Density: 1.072 g/cm3
Boiling Point: 527.4 °C at 760 mmHg
Flash Point: 272.7 °C
PSA: 77.84000
LogP: 3.28170
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Specification

The N-Tetradecanoyl-4-hydroxy-L-proline, with the CAS registry number 848390-99-8, has the systematic name of L-proline, 4-hydroxy-1-(1-oxotetradecyl)-. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C19H35NO4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 13.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63.09; (8)ACD/KOC (pH 7.4): 1.76; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 77.84 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 94.51 cm3; (15)Molar Volume: 318.3 cm3; (16)Polarizability: 37.46×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 272.7 °C; (20)Enthalpy of Vaporization: 92.26 kJ/mol; (21)Boiling Point: 527.4 °C at 760 mmHg; (22)Vapour Pressure: 2.52E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCCCCCCCCCCC(=O)N1CC(C[C@H]1C(=O)O)O
(2)InChI: InChI=1/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-15-16(21)14-17(20)19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16?,17-/m0/s1
(3)InChIKey: FMCWJWOZWODMSK-DJNXLDHEBL