Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Hexadecanoyl-4-hydroxy-L-proline |
EINECS | N/A |
CAS No. | 41736-92-9 | Density | 1.051 g/cm3 |
PSA | 66.84000 | LogP | 5.32900 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H39NO4 | Boiling Point | 548.1 °C at 760 mmHg |
Molecular Weight | 369.545 | Flash Point | 285.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Proline,4-hydroxy-1-(1-oxohexadecyl)-, trans-;N-Palmitoylhydroxyproline;N-Hexadecanoyl-4-hydroxy-L-proline; |
Article Data | 2 |
The N-Hexadecanoyl-4-hydroxy-L-proline with the CAS number 41736-92-9 is also called L-Proline,4-hydroxy-1-(1-oxohexadecyl)-, (4R)-. The systematic name is L-proline, 4-hydroxy-1-(1-oxohexadecyl)-. Its molecular formula is C21H39NO4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 86.54; (6)ACD/BCF (pH 7.4): 2.41; (7)ACD/KOC (pH 5.5): 238.82; (8)ACD/KOC (pH 7.4): 6.66; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 77.84 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 103.77 cm3; (15)Molar Volume: 351.3 cm3; (16)Polarizability: 41.14×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Enthalpy of Vaporization: 95.13 kJ/mol; (19)Vapour Pressure: 2.7×10-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCC(=O)N1CC(C[C@H]1C(=O)O)O
(2)InChI: InChI=1/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-18(23)16-19(22)21(25)26/h18-19,23H,2-17H2,1H3,(H,25,26)/t18?,19-/m0/s1
(3)InChIKey: SRHSPJGTSWHUTH-GGYWPGCIBX