Basic information
- Name:
N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadec-9-enamide monoacetate
- CAS No.:
93942-19-9
- Molecular Structure:
- Formula:
- C28H59N5O3
- Molecular Weight:
- 513.79976
- EINECS:
- 300-569-8
- Boiling Point:
- 692.6 °C at 760 mmHg
- Flash Point:
- 372.7 °C
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Specification
The CAS registry number of N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadec-9-enamide monoacetate is 93942-19-9. Its EINECS registry number is 300-569-8. This chemical's molecular formula is C28H59N5O3 and molecular weight is 513.79976. Its systematic name is called acetic acid; N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide.
Physical properties of N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadec-9-enamide monoacetate: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.68 ; (5)#H bond acceptors: 8; (6)#H bond donors: 7; (7)#Freely Rotating Bonds: 27; (8)Flash Point: 372.7 °C; (9)Enthalpy of Vaporization: 110.58 kJ/mol; (10)Boiling Point: 692.6 °C at 760 mmHg; (11)Vapour Pressure: 5.22E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCNCCNCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O
(2)InChI: InChI=1/C26H55N5O.C2H4O2/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;1-2(3)4/h9-10,28-30H,2-8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)
(3)InChIKey: YSHRZHNEHCVVTQ-UHFFFAOYAI