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CAS No.: | 14464-32-5 |
---|---|
Name: | Stearic acid-N-hydroxysuccinimide ester |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C22H39NO4 |
Molecular Weight: | 381.556 |
Synonyms: | 2,5-Pyrrolidinedione,1-[(1-oxooctadecyl)oxy]- (9CI);Succinimide, N-(stearoyloxy)- (8CI);N-(Stearoyloxy)succinimide;Octadecanoic acid N-hydroxysuccinimide ester;Stearic acid N-hydroxysuccinimide ester;Stearic acid hydroxysuccinimide ester;1-(octadecanoyloxy)pyrrolidine-2,5-dione; |
Density: | 1.019 g/cm3 |
Melting Point: | 92-93 °C |
Boiling Point: | 473.06 °C at 760 mmHg |
Flash Point: | 239.898 °C |
Appearance: | Colourless shiny leaflets |
PSA: | 63.68000 |
LogP: | 5.79300 |
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The Stearic acid-N-hydroxysuccinimide ester, with the CAS registry number 14464-32-5, has the systematic name of 1-(octadecanoyloxy)pyrrolidine-2,5-dione. And the molecular formula of this chemical is C22H39NO4. It is a kind of colourless shiny leaflets, and belongs to the following product categories: Medical Intermediates; Mixed Fatty Acids; Fatty Acid Derivatives & Lipids; Glycerols; Intermediates.
The physical properties of Stearic acid-N-hydroxysuccinimide ester are as following: (1)ACD/LogP: 6.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.7; (4)ACD/LogD (pH 7.4): 6.7; (5)ACD/BCF (pH 5.5): 72191.28; (6)ACD/BCF (pH 7.4): 72191.28; (7)ACD/KOC (pH 5.5): 104540.3; (8)ACD/KOC (pH 7.4): 104540.3; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 63.68 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 107.84 cm3; (15)Molar Volume: 374.3 cm3; (16)Polarizability: 42.75×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 239.9 °C; (20)Enthalpy of Vaporization: 73.61 kJ/mol; (21)Boiling Point: 473.1 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(OC(=O)CCCCCCCCCCCCCCCCC)C(=O)CC1
(2)InChI: InChI=1/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-23-20(24)18-19-21(23)25/h2-19H2,1H3
(3)InChIKey: ZERWDZDNDJBYKA-UHFFFAOYAW