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Allopurinol Impurity 17

CAT: 1299-RM-A121617-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A121617-01Size:10 mg
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CAS Number
35534-35-1
Synonyms
4- (diethoxymethyl) morpholine
Molecular Formula
C9H19NO3
Molecular Weight
189.26
Target Alternative Name
Allopurinol
Product Name Synonym
4- (diethoxymethyl) morpholine

Chemical Information

4-(Diethoxymethyl)morpholine
CAS Number35534-35-1
PubChem CID13302432
IUPAC Name4-(diethoxymethyl)morpholine
Molecular FormulaC9H19NO3
Molecular Weight189.25
XLogP0.6
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity120
SMILES
CCOC(N1CCOCC1)OCC
InChI
InChI=1S/C9H19NO3/c1-3-12-9(13-4-2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKey
SCNPZYFBDOEUPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Diethoxymethyl)morpholine
CAS: 35534-35-1
CID: 13302432
Formula: C9H19NO3
MW: 189.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.25
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass189.13649347
Monoisotopic Mass189.13649347
Topological Polar Surface Area30.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity120
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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