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  • 2,2,2-[nitrilotris(ethane-2,1-diyloxy)trisethanol
Name:2,2,2-[nitrilotris(ethane-2,1-diyloxy)trisethanol
CAS No:54384-48-4

PRODUCT DESCRIPTION

【Name】
2,2',2''-[nitrilotris(ethane-2,1-diyloxy)trisethanol
【CAS Registry number】
54384-48-4
【Synonyms】
2,2',2''-(Nitrilotris(ethane-2,1-diyloxy)trisethanol)
Ethanol, 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris-
2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol
【EINECS(EC#)】
259-136-6
【Molecular Formula】
C12H27NO6 (Products with the same molecular formula)
【Molecular Weight】
281.3459
【Inchi】
InChI=1/C12H27NO6/c14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16/h14-16H,1-12H2
【Canonical SMILES】
C(COCCO)N(CCOCCO)CCOCCO

Chemical and Physical Properties

【Density】
1.146g/cm3
【Boiling Point】
432°C at 760 mmHg
【Refractive Index】
1.491
【Flash Point】
215°C
【Computed Properties】
Molecular Weight:281.34588 [g/mol]
Molecular Formula:C12H27NO6
XLogP3-AA:-2.2
H-Bond Donor:3
H-Bond Acceptor:7
Rotatable Bond Count:15
Exact Mass:281.183838
MonoIsotopic Mass:281.183838
Topological Polar Surface Area:91.6
Heavy Atom Count:19
Formal Charge:0
Complexity:144
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:6
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Effective Rotor Count:15
Conformer Sampling RMSD:1.2
CID Conformer Count:16

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