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Ethanol,2,2'-iminobis-, N-tallow alkyl derivs. (61791-44-4)

Identification
Name:Ethanol,2,2'-iminobis-, N-tallow alkyl derivs.
Synonyms:N,N-Bis(2-hydroxyethyl)(tallowalkyl)amine;SINOPOL 415ST;
CAS:61791-44-4
EINECS: 263-177-5
Molecular Formula: C4H11NO2
Molecular Weight: 105.13564
InChI: InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
Molecular Structure: (C4H11NO2) N,N-Bis(2-hydroxyethyl)(tallowalkyl)amine;SINOPOL 415ST;
Properties
Melting Point: 28 DEG C
Flash Point: 239.4 ºC at 760 mmHg
Boiling Point: 239.4 ºC at 760 mmHg
Density:0.996
Solubility:VERY SOL IN ALC
MISCIBLE WITH WATER, METHANOL WATER; SOL IN BENZENE: 4.2% @ 25 DEG C; IN ETHER: 0.8% @ 25 DEG C; IN N-HEPTANE: LESS THAN 0.1% @ 25 DEG C; IN CARBON TETRACHLORIDE: LESS THAN 0.1% @ 25 DEG C
Specification:

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 

Flash Point: 239.4 ºC at 760 mmHg
Color: PRISMS
USUALLY OFFERED AS A VISCOUS LIQUID
CRYSTALLINE SOLID
Colorless crystals or a syrupy, white liquid (above 82 degrees F).
Safety Data
 

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