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Sulfur trioxide trimethylamine complex

CAT: 0024-sc-229350ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-229350ASize:100 g
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CAS Number
3162-58-1

Chemical Information

Methanamine, N,N-dimethyl-, compd. with sulfur trioxide (1:1)
CAS Number3162-58-1
PubChem CID222852
IUPAC NameN,N-dimethylmethanamine;sulfur trioxide
Molecular FormulaC3H9NO3S
Molecular Weight139.18
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity69
SMILES
CN(C)C.O=S(=O)=O
InChI
InChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;
InChIKey
DXASQZJWWGZNSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanamine, N,N-dimethyl-, compd. with sulfur trioxide (1:1)
CAS: 3162-58-1
CID: 222852
Formula: C3H9NO3S
MW: 139.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass139.03031432
Monoisotopic Mass139.03031432
Topological Polar Surface Area55.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity69.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes