chempirical

CAPSO

C9H19NO4SCAS 73463-39-5237.31 g/mol

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OSOOHHOHN
AlcoholSecondary amineSulfonic acid

Properties

Molecular formula
C9H19NO4S
Molar mass
237.31 g/mol
Exact mass
237.1035 Da
logP
0.16Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
73463-39-5
SMILES
O=S(=O)(O)CC(O)CNC1CCCCC1
InChIKey
INEWUCPYEUEQTN-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)

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

Names and synonyms

3 names
  • 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-
  • 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
  • 3-(Cyclohexylamino)-2-hydroxypropanesulfonic acid

Work with CAPSO

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-3Salt

Similar compounds

Ches (buffer)103-47-956 % similar Caps (buffer)1135-40-654 % similar TAPSO68399-81-550 % similar AMPSO68399-79-146 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-544 % similar Cyclamic acid100-88-940 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-440 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook