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CAS No.: | 61791-44-4 |
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Name: | POE (2) TALLOW AMINE |
Molecular Structure: | |
Formula: | C4H11NO2 |
Molecular Weight: | 105.13564 |
Synonyms: | N,N-Bis(2-hydroxyethyl)(tallowalkyl)amine;SINOPOL 415ST;Ethoxylated Tallow amine; |
EINECS: | 263-177-5 |
Density: | 0.996 |
Melting Point: | 28oC |
Boiling Point: | 239.4 ºC at 760 mmHg |
Flash Point: | 90.5 ºC |
PSA: | 58.28000 |
LogP: | -0.38180 |
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The Ethanol,2,2'-iminobis-, N-tallow alkyl derivs., with the cas registry number 61791-44-4, has the IUPAC name of 2-(2-hydroxyethylamino)ethanol.
The physical properties of this chemical are as follows: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.34; (4)ACD/LogD (pH 7.4): -4.1; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 15.71; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 29.24 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 11.59 ×10-24 cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 90.5 °C; (20)Enthalpy of Vaporization: 55.35 kJ/mol; (21)Boiling Point: 239.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00707 mmHg at 25°C; (23)Exact Mass: 105.078979; (24)MonoIsotopic Mass: 105.078979; (25)Topological Polar Surface Area: 52.5; (26)Heavy Atom Count: 7; (27)Complexity: 28.9.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CO)NCCO
(2)InChI: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
(3)InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N