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105955-10-0

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Basic Information
CAS No.: 105955-10-0
Name: N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]OCTADECANAMIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 105955-10-0 (N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]OCTADECANAMIDE)
Formula: C26H45NO3
Molecular Weight: 419.648
Synonyms: N-Stearoyldopamine;
Density: 0.994 g/cm3
Boiling Point: 608.889 °C at 760 mmHg
Flash Point: 322.045 °C
PSA: 69.56000
LogP: 7.40890
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Specification

This chemical is called Octadecanamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, and its systematic name is N-[2-(3,4-dihydroxyphenyl)ethyl]octadecanamide. With the molecular formula of C26H45NO3, its molecular weight is 419.64. The CAS registry number of this chemical is 105955-10-0. Additionally, its product category is Cannabinoid receptor. 

Other characteristics of Octadecanamide,N-[2-(3,4-dihydroxyphenyl)ethyl]- can be summarised as followings: (1)ACD/LogP: 7.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 766746; (8)ACD/KOC (pH 7.4): 761010; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 69.56 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 126.581 cm3; (15)Molar Volume: 422.168 cm3; (16)Polarizability: 50.181×10-24cm3; (17)Surface Tension: 40.203 dyne/cm; (18)Density: 0.994 g/cm3; (19)Flash Point: 322.045 °C; (20)Enthalpy of Vaporization: 93.781 kJ/mol; (21)Boiling Point: 608.889 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(NCCc1cc(O)c(O)cc1)CCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C26H45NO3/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/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)
3.InChIKey: KOCSVLPLQCBIGW-UHFFFAOYAG
4.Std. InChI: InChI=1S/C26H45NO3/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/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)
5.Std. InChIKey: KOCSVLPLQCBIGW-UHFFFAOYSA-N