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Name |
N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadeca-9,12-dien-1-amide |
EINECS | 300-570-3 |
CAS No. | 93942-20-2 | Density | 0.939 g/cm3 |
PSA | 94.70000 | LogP | 6.35690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H53N5O | Boiling Point | 615.9 °C at 760 mmHg |
Molecular Weight | 451.73192 | Flash Point | 326.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide; |
The CAS registry number of N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadeca-9,12-dien-1-amide is 93942-20-2. Its EINECS registry number is 300-570-3. This chemical's molecular formula is C26H53N5O and molecular weight is 451.73192. Its IUPAC name is called (9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-
9,12-dienamide.
Physical properties of N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadeca-9,12-dien-1-amide: (1)ACD/LogP: 4.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 26; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 140.56 cm3; (14)Molar Volume: 481 cm3; (15)Surface Tension: 37 dyne/cm; (16)Density: 0.939 g/cm3; (17)Flash Point: 326.3 °C; (18)Enthalpy of Vaporization: 91.36 kJ/mol; (19)Boiling Point: 615.9 °C at 760 mmHg; (20)Vapour Pressure: 4.21E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN
(2)Isomeric SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCNCCN
(3)InChI: InChI=1S/C26H53N5O/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/h6-7,9-10,28-30H,2-5,8,11-25,27H2,1H3,(H,31,32)/b7-6+,10-9+
(4)InChIKey: IGTHUKCHFWQYHW-AVQMFFATSA-N