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2,2-Diethoxyethanol

CAT: 0931-TYD-02629-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02629-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
621-63-6
Target
Others
Related Pathways
Others
Bioactivity
2,2-Diethoxyethanol is an alcohol compound exhibiting inhibitory activity against Voltage-dependent T-type calcium channels (IC50=13 μM), suitable for biochemical experiments and drug synthesis research.
Smiles
OCC(OCC)OCC
Molecular Formula
C6H14O3
Molecular Weight
134.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2-Diethoxyethanol
CAS Number621-63-6
PubChem CID12129
IUPAC Name2,2-diethoxyethanol
Molecular FormulaC6H14O3
Molecular Weight134.17
XLogP0.1
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity50
SMILES
CCOC(CO)OCC
InChI
InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3
InChIKey
IKKUKDZKIIIKJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Diethoxyethanol
CAS: 621-63-6
CID: 12129
Formula: C6H14O3
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass134.094294304
Monoisotopic Mass134.094294304
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity50.3
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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CatalogName
1597792,2-Diethoxyethanol
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