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Octyldimethylamine N-oxide

CAT: 0572-TRC-O286500-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O286500-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2605-78-9
Synonyms
Octyldimethylamine N-oxide
Hazard Statement
No Data Available
Smiles
CCCCCCCC[N+](C)(C)[O-]
Molecular Formula
C10 H23 N O
Molecular Weight
173.296
InChI
InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
Additionnal Information
IUPAC name: N,N-dimethyloctan-1-amine oxide
Shipping Conditions
Room Temperature

Chemical Information

Octyldimethylamine oxide
CAS Number2605-78-9
PubChem CID62451
IUPAC NameN,N-dimethyloctan-1-amine oxide
Molecular FormulaC10H23NO
Molecular Weight173.30
XLogP3.1
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity102
SMILES
CCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
InChIKey
RSVIRMFSJVHWJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyldimethylamine oxide
CAS: 2605-78-9
CID: 62451
Formula: C10H23NO
MW: 173.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.30
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass173.177964357
Monoisotopic Mass173.177964357
Topological Polar Surface Area18.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity102
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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