chempirical

Ampso

C7H17NO5SCAS 68399-79-1227.27 g/mol

Open in Covalent MOL file
HONHOHSOOOH
AlcoholSecondary amineSulfonic acid

Properties

Molecular formula
C7H17NO5S
Molar mass
227.27 g/mol
Exact mass
227.0827 Da
logP
-1.40Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6

Identifiers

CAS number
68399-79-1
SMILES
CC(C)(CO)NCC(O)CS(=O)(=O)O
InChIKey
ACERFIHBIWMFOR-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2-Hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
  • 1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-
  • 2-Hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanesulfonic acid
  • NSC 378146
  • 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid
  • 2-Hydroxy-3-((1-hydroxy-2-methylpropan-2-yl)amino)propane-1-sulfonicacid

Work with Ampso

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

Tapso68399-81-569 % similar Ampso sodium salt102029-60-762 % similar Capso73463-39-546 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-841 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-540 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-440 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-038 % similar Tes (buffer)7365-44-837 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook