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4439-20-7

4439-20-7 | 2,2'-(Ethane-1,2-diylbis(azanediyl))diethanol

CAS No: 4439-20-7 Catalog No: AG003SH9 MDL No:MFCD00002842

Product Description

Catalog Number:
AG003SH9
Chemical Name:
2,2'-(Ethane-1,2-diylbis(azanediyl))diethanol
CAS Number:
4439-20-7
Molecular Formula:
C6H16N2O2
Molecular Weight:
148.2034
MDL Number:
MFCD00002842
IUPAC Name:
2-[2-(2-hydroxyethylamino)ethylamino]ethanol
InChI:
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
InChI Key:
GFIWSSUBVYLTRF-UHFFFAOYSA-N
SMILES:
OCCNCCNCCO
EC Number:
224-656-4
NSC Number:
18476

Properties

Complexity:
53.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.121g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
148.206g/mol
Monoisotopic Mass:
148.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  

Literature

Title Journal
A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands. The journal of physical chemistry. A 20110623
Biodegradable nitric oxide-releasing poly(diol citrate) elastomers. Journal of biomedical materials research. Part A 20100401
The structure of N,N'-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(II) and Cd(II). Dalton transactions (Cambridge, England : 2003) 20091214
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
(Aminoethanol)dichloroplatinum(II) complexes: influence of the hydroxyethyl moiety on 5'-GMP and DNA binding, intramolecular stability, the partition coefficient and anticancer activity. Journal of inorganic biochemistry 20020201

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