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69226-12-6 | 2,2'-[(2-hydroxyethyl)imino]diacetic acid- 1,4-diazabicyclo[2.2.2]octane(2:1)
CAS No: 69226-12-6 Catalog No: AG005KJ2 MDL No:
Product Description
Catalog Number:
AG005KJ2
Chemical Name:
2,2'-[(2-hydroxyethyl)imino]diacetic acid- 1,4-diazabicyclo[2.2.2]octane(2:1)
CAS Number:
69226-12-6
Molecular Formula:
C18H34N4O10
Molecular Weight:
466.4834
IUPAC Name:
5-ethyl-2,2-dimethylthiomorpholin-3-one
InChI:
InChI=1S/C8H15NOS/c1-4-6-5-11-8(2,3)7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)
InChI Key:
UYRUCWOYLKIGPJ-UHFFFAOYSA-N
SMILES:
C1CN2CCN1CC2.OCCN(CC(=O)O)CC(=O)O.OCCN(CC(=O)O)CC(=O)O
NSC Number:
17633
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.274g/mol
Monoisotopic Mass:
173.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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