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CAS No.: | 63451-21-8 |
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Name: | N-(2-aminoethyl)-N-(2-hydroxyethyl)dodecanamide |
Molecular Structure: | |
Formula: | C16H34N2O2 |
Molecular Weight: | 286.4534 |
Synonyms: | N-(2-Aminoethyl)-N-(2-hydroxyethyl)dodecanamide; |
EINECS: | 264-188-8 |
Density: | 0.96 g/cm3 |
Boiling Point: | 433.8 °C at 760 mmHg |
Flash Point: | 216.1 °C |
PSA: | 66.56000 |
LogP: | 3.38720 |
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The CAS registry number of Dodecanamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)- is 63451-21-8. Its EINECS registry number is 264-188-8. This chemical's molecular formula is C16H34N2O2 and molecular weight is 286.45336. What's more, both its IUPAC name and systematic name are the same which is called N-(2-Aminoethyl)-N-(2-hydroxyethyl)dodecanamide.
Physical properties about Dodecanamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)- are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 39.06; (7)ACD/KOC (pH 5.5): 5.43; (8)ACD/KOC (pH 7.4): 253.52; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 84.99 cm3; (15)Molar Volume: 298.1 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 0.96 g/cm3; (18)Flash Point: 216.1 °C; (19)Enthalpy of Vaporization: 79.63 kJ/mol; (20)Boiling Point: 433.8 °C at 760 mmHg; (21)Vapour Pressure: 2.41E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(CCN)CCO)CCCCCCCCCCC
(2) InChI: InChI=1/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(13-12-17)14-15-19/h19H,2-15,17H2,1H3
(3) InChIKey: KOUNBXVVHJVUQL-UHFFFAOYAY