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Trimethylamine N-oxide

CAT: 0127-BUP16577Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16577Size:100 mg
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CAS Number
1184-78-7
Smiles
C[N+](C)(C)[O-]

Chemical Information

Trimethylamine oxide

Trimethylamine N-oxide is a tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine. It has a role as a metabolite, an osmolyte and an Escherichia coli metabolite. It is functionally related to a trimethylamine. It is a conjugate base of a hydroxytrimethylaminium.

CAS Number1184-78-7
PubChem CID1145
IUPAC NameN,N-dimethylmethanamine oxide
Molecular FormulaC3H9NO
Molecular Weight75.11
XLogP-0.3
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity28
SMILES
C[N+](C)(C)[O-]
InChI
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKey
UYPYRKYUKCHHIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethylamine oxide
CAS: 1184-78-7
CID: 1145
Formula: C3H9NO
MW: 75.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight75.11
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass75.068413911
Monoisotopic Mass75.068413911
Topological Polar Surface Area18.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.4
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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Alternative Products

CatalogName
FT15235-01Trimethylamine N-oxide
T1032-005Trimethylamine N-oxide, 98%
CS-O-60999Trimethylamine N-Oxide-d3
HY-108915-01Trimethylamine N-oxide (dihydrate)
290528-01Trimethylamine-N-oxide dihydrate
MBS6108438-01Trimethylamine-d9 N-Oxide
sc-296626ATrimethylamine N-oxide dihydrate
C04751Trimethylamine N-oxide-d9
CS-I-00536Trimethylamine-N-oxide-[13C3]
HY-116084R-01Trimethylamine N-oxide (Standard)

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