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9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)-

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Name

9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)-

EINECS N/A
CAS No. 105955-11-1 Density 1.004 g/cm3
PSA 69.56000 LogP 7.18490
Solubility N/A Melting Point N/A
Formula C26H43NO3 Boiling Point 619.5 °C at 760 mmHg
Molecular Weight 417.632 Flash Point 328.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105955-11-1 (OLDA) Hazard Symbols IrritantXi
Synonyms

N-Oleoyldopamine;(9Z)-N-[2-(3,4-Dihydroxyphenyl)ethyl]octadec-9-enamide;

Article Data 5

9-Octadecenamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, (9Z)- 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

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