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Diethanolamine bisulfite,EINECS 266-128-6,Ethanol, 2,2'-iminobis-,

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摘 要:Diethanolamine bisulfite,EINECS 266-128-6,Ethanol, 2,2'-iminobis-, sulfite (1:1) (salt),Bis(2-hydroxyethyl)ammonium hydrogen sulphite (1:1),111-42-2,66085-61-8, 2-(2-hydroxyethylamino)ethanol; sulfurous acid,Canonical SMILES: C(CO)NCCO.OS(=O)O,In
[Synonyms]
Diethanolamine bisulfite
EINECS 266-128-6
Ethanol, 2,2'-iminobis-, sulfite (1:1) (salt)
Bis(2-hydroxyethyl)ammonium hydrogen sulphite (1:1)
111-42-2
66085-61-8

[Structure]
Diethanolamine bisulfite,EINECS 266-128-6,Ethanol, 2,2'-iminobis-,

[ Properties Computed from Structure]
Molecular Weight187.21472 [g/mol]
Molecular FormulaC4H13NO5S
H-Bond Donor5
H-Bond Acceptor6
Rotatable Bond Count4
Exact Mass187.051443
MonoIsotopic Mass187.051443
Topological Polar Surface Area110
Heavy Atom Count11
Formal Charge0
Complexity55.1
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; sulfurous acid
Canonical SMILES: C(CO)NCCO.OS(=O)O
InChI: InChI=1/C4H11NO2.H2O3S/c6-3-1-5-2-4-7;1-4(2)3/h5-7H,1-4H2;(H2,1,2,
3)/f/h;1-2H

 
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