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63041-07-6

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Basic Information
CAS No.: 63041-07-6
Name: 2-[N-[2-[(2,3-Epoxypropan-1-yl)oxy]ethyl]anilino]ethanol
Molecular Structure:
Molecular Structure of 63041-07-6 (2-[N-[2-[(2,3-Epoxypropan-1-yl)oxy]ethyl]anilino]ethanol)
Formula: C13H19NO3
Molecular Weight: 237.33
Density: 1.165g/cm3
Boiling Point: 419.5°Cat760mmHg
Flash Point: 207.5°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. See also ETHERS and AMINES.
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Chemistry

Molecule structure of Monoglycidyl ether of N-phenyldiethanolamine (CAS NO.63041-07-6) :

IUPAC Name: 2-[3-(2-anilinoethoxymethyl)oxiran-2-yl]ethanol 
Molecular Weight: 237.29486 g/mol
Molecular Formula: C13H19NO3 
Density: 1.165 g/cm3 
Boiling Point: 419.5 °C at 760 mmHg
Flash Point: 207.5 °C
Index of Refraction: 1.567
Molar Refractivity: 66.57 cm3
Molar Volume: 203.6 cm3
Polarizability: 26.39 10-24 cm3
Surface Tension: 50.6 dyne/cm
Enthalpy of Vaporization: 70.98 kJ/mol 
Vapour Pressure: 8.67E-08 mmHg at 25 °C
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 237.136493
MonoIsotopic Mass: 237.136493
Topological Polar Surface Area: 54
Heavy Atom Count: 17
Complexity: 207
Canonical SMILES: C1=CC=C(C=C1)NCCOCC2C(O2)CCO
InChI: InChI=1S/C13H19NO3/c15-8-6-12-13(17-12)10-16-9-7-14-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKey of Monoglycidyl ether of N-phenyldiethanolamine (CAS NO.63041-07-6) : VSRGVMQWIXMLID-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

scu-mus TDLo:17 g/kg/43W-I:ETA

     FCTXAV    Food and Cosmetics Toxicology. 4 (1966),365.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. See also ETHERS and AMINES.

Specification

 Monoglycidyl ether of N-phenyldiethanolamine (CAS NO.63041-07-6) is also called 2-(N-(2-(2,3-Epoxypropoxy)ethyl)anilino)ethanol ; Ethanol, 2-(N-(2-(2,3-epoxypropoxy)ethyl)anilino)- .