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179113-91-8

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Basic Information
CAS No.: 179113-91-8
Name: NAGLY
Article Data: 2
Molecular Structure:
Molecular Structure of 179113-91-8 (NAGLY)
Formula: C22H35NO3
Molecular Weight: 361.52
Synonyms: Glycine,N-(1-oxo-5,8,11,14-eicosatetraenyl)-, (all-Z)-;Glycine,N-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl]- (9CI);N-Arachidonoylglycine;
Density: 0.985 g/cm3
Boiling Point: 560.9 °C at 760 mmHg
Flash Point: 293 °C
Solubility: DMSO: >5 mg/mL, soluble
Safety: 22-24/25
PSA: 66.40000
LogP: 5.72380
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Specification

This chemical is called Glycine,N-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]-, and its systematic name is N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]glycine. With the molecular formula of C22H35NO3, its molecular weight is 361.52. The CAS registry number of the chemical is 179113-91-8. Additionally, its product category is Cannabinoid receptor. However, this chemical should be sealed in the cool and dry place at the temperature of -20 °C.

Other characteristics of Glycine,N-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]- can be summarised as followings: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 126.95; (6)ACD/BCF (pH 7.4): 4.63; (7)ACD/KOC (pH 5.5): 276.24; (8)ACD/KOC (pH 7.4): 10.08; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 109.39 cm3; (15)Molar Volume: 366.7 cm3; (16)Polarizability: 43.36×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 0.985 g/cm3; (19)Flash Point: 293 °C; (20)Enthalpy of Vaporization: 92.21 kJ/mol; (21)Boiling Point: 560.9 °C at 760 mmHg; (22)Vapour Pressure: 4.74E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes when you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(NCC(=O)O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
2.InChI: InChI=1/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
3.InChIKey: YLEARPUNMCCKMP-DOFZRALJBJ
4.Std. InChI: InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
5.Std. InChIKey: YLEARPUNMCCKMP-DOFZRALJSA-N