chempirical

Ches (buffer)

C8H17NO3SCAS 103-47-9207.29 g/mol

Open in Covalent MOL file
OSOOHHN
Secondary amineSulfonic acid

Properties

Molecular formula
C8H17NO3S
Molar mass
207.29 g/mol
Exact mass
207.0929 Da
Melting point
320 °C
logP
0.80Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
103-47-9
SMILES
O=S(=O)(O)CCNC1CCCCC1
InChIKey
MKWKNSIESPFAQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

10 names
  • Ethanesulfonic acid, 2-(cyclohexylamino)-
  • Taurine, N-cyclohexyl-
  • 2-(Cyclohexylamino)ethanesulfonic acid
  • N-Cyclohexyltaurine
  • CHES
  • 2-[N-Cyclohexylamino]ethanesulfonic acid
  • N-Cyclohexyl-2-aminoethanesulfonic acid
  • NSC 120726
  • 2-(Cyclohexylazaniumyl)ethanesulfonate
  • 2-(Cyclohexylamino)ethane-1-sulfonic acid

Work with Ches (buffer)

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

Caps (buffer)1135-40-682 % similar CAPSO73463-39-556 % similar 2-(Cyclohexylamino)ethanol2842-38-847 % similar 1,3-Propanedisulfonic acid21668-77-944 % similar 1,4-Butanedisulfonic acid27665-39-044 % similar Cyclamic acid100-88-944 % similar Ethanedisulfonic acid110-04-342 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-241 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia