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Ethanolamine Impurity 2

CAT: 1596-AR-E10554-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10554-01Size:10 Units
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CAS Number
96628-67-0
Molecular Formula
C8H17NO5S
Molecular Weight
239.29
API Name
Ethanolamine

Chemical Information

tert-Butyl N-(2-((methylsulfonyl)oxy)ethyl)carbamate
CAS Number96628-67-0
PubChem CID22605302
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl methanesulfonate
Molecular FormulaC8H17NO5S
Molecular Weight239.29
XLogP0.4
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity298
SMILES
CC(C)(C)OC(=O)NCCOS(=O)(=O)C
InChI
InChI=1S/C8H17NO5S/c1-8(2,3)14-7(10)9-5-6-13-15(4,11)12/h5-6H2,1-4H3,(H,9,10)
InChIKey
QQDCXQURAAVVHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl N-(2-((methylsulfonyl)oxy)ethyl)carbamate
CAS: 96628-67-0
CID: 22605302
Formula: C8H17NO5S
MW: 239.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.29
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass239.08274382
Monoisotopic Mass239.08274382
Topological Polar Surface Area90.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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