Molecule structure of Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis- (CAS NO.1854-23-5) :
IUPAC Name: 4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine
Molecular Weight: 287.3553 g/mol
Molecular Formula: C13H25N3O4
Density: 1.135 g/cm3
Boiling Point: 432.9 °C at 760 mmHg
Flash Point: 215.6 °C
Index of Refraction: 1.5
Molar Refractivity: 74.46 cm3
Molar Volume: 253 cm3
Polarizability: 29.51*10-24 cm3
Surface Tension: 40.9 dyne/cm
Enthalpy of Vaporization: 68.87 kJ/mol
Vapour Pressure: 1.07E-07 mmHg at 25 °C
XLogP3-AA: 0.1
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Exact Mass: 287.184506
MonoIsotopic Mass: 287.184506
Topological Polar Surface Area: 68.1
Heavy Atom Count: 20
Complexity: 289
Canonical SMILES: CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-]
InChI: InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3
InChIKey: XPGDDCOXMUFUCB-UHFFFAOYSA-N
EINECS of Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis- (CAS NO.1854-23-5) : 217-450-0
EPA FIFRA 1988 pesticide subject to registration or re-registration.
A pesticide with unreported toxicity. When heated to decomposition it emits acrid smoke and irritating vapors.
DFG MAK: 0.5 ppm
Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis- (CAS NO.1854-23-5) is also called 4,4'-(2-Ethyl-2-nitrotrimethylene)dimorpholine ; Morpholine, 4,4'-(2-ethyl-2-nitrotrimethylene)di- ; 4,4'-(2-Ethyl-2-nitropropane-1,3-diyl)bismorpholine .
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