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105955-11-1

Basic Information
CAS No.: 105955-11-1
Name: OLDA
Article Data: 5
Molecular Structure:
Molecular Structure of 105955-11-1 (OLDA)
Formula: C26H43NO3
Molecular Weight: 417.632
Synonyms: N-Oleoyldopamine;(9Z)-N-[2-(3,4-Dihydroxyphenyl)ethyl]octadec-9-enamide;
Density: 1.004 g/cm3
Boiling Point: 619.5 °C at 760 mmHg
Flash Point: 328.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 69.56000
LogP: 7.18490
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  • 9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)-

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Specification

The CAS registry number of 9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)- is 105955-11-1. The systematic name is (9Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide. In addition, the molecular formula is C26H43NO3 and the molecular weight is 417.62. It should be stored in a cool and dry place

Physical properties about 9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)- are: (1)ACD/LogP: 7.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.77; (4)ACD/LogD (pH 7.4): 7.76; (5)ACD/BCF (pH 5.5): 471607.44; (6)ACD/BCF (pH 7.4): 468078.91; (7)ACD/KOC (pH 5.5): 400598.03; (8)ACD/KOC (pH 7.4): 397600.81; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 126.63 cm3; (15)Molar Volume: 415.7 cm3; (16)Polarizability: 50.2 ×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 328.4 °C; (20)Enthalpy of Vaporization: 95.19 kJ/mol; (21)Boiling Point: 619.5 °C at 760 mmHg; (22)Vapour Pressure: 6.13E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc1cc(O)c(O)cc1)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
(3)InChIKey: QQBPLXNESPTPNU-KTKRTIGZBN