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94139-11-4

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Basic Information
CAS No.: 94139-11-4
Name: N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate
Molecular Structure:
Molecular Structure of 94139-11-4 (N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate)
Formula: C24H46N2O4
Molecular Weight: 408.61776
Synonyms: N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate
EINECS: 303-026-3
Boiling Point: 628.8 °C at 760 mmHg
Flash Point: 334.1 °C
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  • N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate

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    94139-11-4

    N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate

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  • N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate

  • Casno:

    94139-11-4

    N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate

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Specification

The CAS registry number of N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate is 94139-11-4. Its EINECS registry number is 303-026-3. This chemical's molecular formula is C24H46N2O4 and molecular weight is 426.633. Its IUPAC name is called [2-(ethylamino)ethyl-[(9E,12E)-octadeca-9,12-dienoyl]amino] acetate.

Physical properties of N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12-dienamide monoacetate: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.89; (5)#H bond acceptors: 6; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 20 ; (8)Flash Point: 334.1 °C; (9)Enthalpy of Vaporization: 106.63 kJ/mol; (10)Boiling Point: 628.8 °C at 760 mmHg; (11)Vapour Pressure: 1.89E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)N(CCNCC)OC(=O)C
(2)Isomeric SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCNCC)OC(=O)C
(3)InChI: InChI=1S/C24H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)26(29-23(3)27)22-21-25-5-2/h9-10,12-13,25H,4-8,11,14-22H2,1-3H3/b10-9+,13-12+
(4)InChIKey: LNVRPBMYZQBPEZ-OKLKQMLOSA-N