chempirical

Trimethylamine sulfur trioxide

C3H9NO3SCAS 3162-58-1139.17 g/mol

Open in Covalent MOL file
NOSOO
Tertiary amine

Properties

Molecular formula
C3H9NO3S
Molar mass
139.17 g/mol
Exact mass
139.0303 Da
logP
-0.83Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
3162-58-1
SMILES
CN(C)C.O=S(=O)=O
InChIKey
DXASQZJWWGZNSF-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;

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Names and synonyms

8 names
  • Methanamine, N,N-dimethyl-, compd. with sulfur trioxide (1:1)
  • Trimethylamine, compd. with sulfur trioxide (1:1)
  • Sulfur trioxide, compd. with trimethylamine (1:1)
  • Sulfur trioxide, compd. with N,N-dimethylmethanamine (1:1)
  • Sulfur trioxide-trimethylamine complex
  • Trimethylamine compound with sulfur trioxide
  • Sulfur trioxide-trimethylamine
  • NSC 9838

Work with Trimethylamine sulfur trioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sulfur trioxide7446-11-950 % similar Fuming sulfuric acid8014-95-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Homotaurine3687-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook