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136181-87-8

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Basic Information
CAS No.: 136181-87-8
Name: PALDA
Article Data: 7
Molecular Structure:
Molecular Structure of 136181-87-8 (PALDA)
Formula: C24H41NO3
Molecular Weight: 391.594
Synonyms: N-Palmitoyldopamine;N-Palmitoyl Dopamine;
Density: 1.006 g/cm3
Boiling Point: 589.5 °C at 760 mmHg
Flash Point: 310.3 °C
PSA: 69.56000
LogP: 6.62870
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Specification

The Hexadecanamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-, with the CAS registry number 136181-87-8, is also known as N-Palmitoyl Dopamine. It belongs to the product category of Vanilloid/TRPV channel. This chemical's molecular formula is C24H41NO3 and molecular weight is 391.59. What's more, its systematic nam is N-[2-(3,4-Dihydroxyphenyl)ethyl]hexadecanamide. It can be stored at +4 °C.

Physical properties about Hexadecanamide,N-[2-(3,4-dihydroxyphenyl)ethyl]- are: (1)ACD/LogP: 7.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.22; (4)ACD/LogD (pH 7.4): 7.22; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 19; (8)Polar Surface Area: 69.56 Å2; (9)Index of Refraction: 1.514; (10)Molar Refractivity: 117.31 cm3; (11)Molar Volume: 389.1 cm3; (12)Polarizability: 46.5×10-24 cm3; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.006 g/cm3; (15)Flash Point: 310.3 °C; (16)Enthalpy of Vaporization: 91.23 kJ/mol; (17)Boiling Point: 589.5 °C at 760 mmHg; (18)Vapour Pressure: 1.7E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(CCNC(=O)CCCCCCCCCCCCCCC)cc1O
(2)InChI: InChI=1/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h16-17,20,26-27H,2-15,18-19H2,1H3,(H,25,28)
(3)InChIKey: TWJJFOWLTIEYFO-UHFFFAOYAI