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| CAS No.: | 85508-14-1 |
|---|---|
| Name: | bis(2-aminoethyl) decyl phosphate |
| Molecular Structure: | |
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| Formula: | C14H33N2O4P |
| Molecular Weight: | 324.40 |
| Synonyms: | bis(2-aminoethyl) decyl phosphate;Einecs 287-438-8 |
| EINECS: | 287-438-8 |
| Density: | 1.045 g/cm3 |
| Boiling Point: | 421.5 °C at 760 mmHg |
| Flash Point: | 208.7 °C |
| PSA: | 106.61000 |
| LogP: | 4.60300 |
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Specification
The Phosphoric acid,bis(2-aminoethyl) decyl ester has CAS registry number 85508-14-1. Its EINECS number is 287-438-8. This chemical's molecular formula is C14H33N2O4P and molecular weight is 324.40. What's more, its IUPAC name is bis(2-aminoethyl) decyl phosphate.
Physical properties of Phosphoric acid,bis(2-aminoethyl) decyl ester are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26.21; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 224.81; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 61.05 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 86.08 cm3; (15)Molar Volume: 310.2 cm3; (16)Polarizability: 34.12×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 208.7 °C; (20)Enthalpy of Vaporization: 67.56 kJ/mol; (21)Boiling Point: 421.5 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCCCCCCCCC)(OCCN)OCCN
(2)Std. InChI: InChI=1S/C14H33N2O4P/c1-2-3-4-5-6-7-8-9-12-18-21(17,19-13-10-15)20-14-11-16/h2-16H2,1H3
(3)Std. InChIKey: DCLDCRBASITBMJ-UHFFFAOYSA-N