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| CAS No.: | 93942-22-4 |
|---|---|
| Name: | N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide |
| Molecular Structure: | |
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| Formula: | C26H51N5O |
| Molecular Weight: | 449.71604 |
| Synonyms: | N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide |
| EINECS: | 300-572-4 |
| Density: | 0.947 g/cm3 |
| Boiling Point: | 615.9 °C at 760 mmHg |
| Flash Point: | 326.3 °C |
| PSA: | 94.70000 |
| LogP: | 6.13290 |
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Specification
The CAS registry number of 9,12,15-Octadecatrienamide,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]- is 93942-22-4. Its EINECS registry number is 300-572-4. This chemical's molecular formula is C26H51N5O and molecular weight is 449.71604. Its systematic name is called N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12,15-trienamide.
Physical properties of 9,12,15-Octadecatrienamide,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 7.4): 0.3; (4)#H bond acceptors: 6; (5)#H bond donors: 6; (6)#Freely Rotating Bonds: 25; (7)Index of Refraction: 1.504; (8)Molar Refractivity: 140.62 cm3; (9)Molar Volume: 474.6 cm3; (10)Surface Tension: 37.4 dyne/cm; (11)Density: 0.947 g/cm3; (12)Flash Point: 326.3 °C; (13)Enthalpy of Vaporization: 91.37 kJ/mol; (14)Boiling Point: 615.9 °C at 760 mmHg; (15)Vapour Pressure: 4.2E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN
(2)InChI: InChI=1/C26H51N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32)
(3)InChIKey: NGEWKRJKIDUTQY-UHFFFAOYAM