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Ethanol,2,2'-[(3-phenoxyphenyl)imino]bis- 2-[N-(2-hydroxyethyl)-3-phenoxyanilino]ethanol 50891-72-0
Identification and Related Records
【Name】
Ethanol,2,2'-[(3-phenoxyphenyl)imino]bis-
【CAS Registry number】
50891-72-0
【Synonyms】
NSC 59764
【Molecular Formula】
C16H19 N O3 (Products with the same molecular formula)
【Molecular Weight】
273.327
【Inchi】
InChI=1/C16H19NO3/c18-11-9-17(10-12-19)14-5-4-8-16(13-14)20-15-6-2-1-3-7-15/h1-8,13,18-19H,9-12H2
【Canonical SMILES】
C1=CC=C(C=C1)OC2=CC=CC(=C2)N(CCO)CCO
Chemical and Physical Properties
【Density】
1.209g/cm3
【Boiling Point】
468°C at 760 mmHg
【Refractive Index】
1.619
【Flash Point】
236.8°C
【Computed Properties】
Molecular Weight:273.32696 [g/mol]
Molecular Formula:C16H19NO3
XLogP3-AA:2.2
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:273.136493
MonoIsotopic Mass:273.136493
Topological Polar Surface Area:52.9
Heavy Atom Count:20
Formal Charge:0
Complexity:250
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:148
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