1-(1-Oxohexadecyl)-L-proline supplier

Name
1-(1-Oxohexadecyl)-L-proline
EINECS 261-763-5
CAS No. 59441-32-6
Article Data10
CAS DataBase
Density 0.997 g/cm³
Solubility
Melting Point 66-67 °C
Formula C₂₁H₃₉NO₃
Boiling Point 511.6 °C at 760 mmHg
Molecular Weight 353.546
Flash Point 263.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Palmitoyl-L-proline;N-Palmitoylproline;1-Hexadecanoylpyrrolidine-2-carboxylic acid;1-Palmitoyl-L-proline;
PSA 57.61000
LogP 5.48120

1-(1-Oxohexadecyl)-L-proline Specification

The IUPAC name of 1-(1-Oxohexadecyl)-L-proline is 1-Hexadecanoylpyrrolidine-2-carboxylic acid. With the CAS registry number 59441-32-6, it is also named as 1-Palmitoyl-L-proline. In addition, its molecular formula is C₂₁H₃₉NO₃ and its molecular weight is 353.54.

The other characteristics of 1-(1-Oxohexadecyl)-L-proline can be summarized as: (1)EINECS: 261-763-5; (2)ACD/LogP: 6.67; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 4.93; (5)ACD/LogD (pH 7.4): 3.28; (6)ACD/BCF (pH 5.5): 1268.63; (7)ACD/BCF (pH 7.4): 28.41; (8)ACD/KOC (pH 5.5): 1859.31; (9)ACD/KOC (pH 7.4): 41.64; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 15; (13)Polar Surface Area: 57.61 Å²; (14)Index of Refraction: 1.488; (15)Molar Refractivity: 102.18 cm³; (16)Molar Volume: 354.3 cm³; (17)Polarizability: 40.5×10^-24cm³; (18)Surface Tension: 40.4 dyne/cm; (19)Density: 0.997 g/cm³; (20)Flash Point: 263.2 °C; (21)Enthalpy of Vaporization: 85.65 kJ/mol; (22)Boiling Point: 511.6 °C at 760 mmHg; (23)Vapour Pressure: 7.58E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@H]1CCCN1C(=O)CCCCCCCCCCCCCCC
(2)InChI:InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1
(3)InChIKey:XOAIXMQPJQVGRV-IBGZPJMEBB
(4)Std. InChI:InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1
(5)Std. InChIKey:XOAIXMQPJQVGRV-IBGZPJMESA-N

Product Name

1-(1-Oxohexadecyl)-L-proline

1-(1-Oxohexadecyl)-L-proline Specification

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