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Methoxy isobutyl isonitrile

CAT: 0013-GTR19281110-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281110-01Size:10 mg
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Description
Methoxy isobutyl isonitrile is a radioactive compound that forms a complex with technetium-99m. This complex serves as a tracer in the diagnosis of pulmonary lesions and malignant thyroid nodules.
CAS Number
109434-22-2
Smiles
[C-]#[N+]CC (OC) (C) C
Molecular Formula
C6H11NO
Molecular Weight
113.16
Notes
For research use only.

Chemical Information

2-Methoxyisobutyl isonitrile

See also: Technetium Tc 99m sestamibi [USAN:USP:INN:BAN] (annotation moved to); Technetium (annotation moved to); Technetium Tc 99m sestamibi (annotation moved to).

CAS Number109434-22-2
PubChem CID130600
IUPAC Name1-isocyano-2-methoxy-2-methylpropane
Molecular FormulaC6H11NO
Molecular Weight113.16
XLogP0.4
Topological Polar Surface Area13.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity109
SMILES
CC(C)(C[N+]#[C-])OC
InChI
InChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3
InChIKey
LJJFNFYPZOHRHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyisobutyl isonitrile
CAS: 109434-22-2
CID: 130600
Formula: C6H11NO
MW: 113.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.16
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass113.084063974
Monoisotopic Mass113.084063974
Topological Polar Surface Area13.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity109
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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