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Substance Name: CAPS
RN: 1135-40-6
UNII: 4W981O1LXP
InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N

Molecular Formula

  • C9-H19-N-O3-S

Molecular Weight

  • 221.319
 
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Names and Synonyms

Name of Substance

  • 3-(Cyclohexylamino)-1-propanesulfonic acid
  • CAPS

Synonyms

  • 3-(Cyclohexylamino)-1-propanesulfonic acid
  • BRN 2835588
  • CAPS
  • EINECS 214-492-1
  • UNII-4W981O1LXP

Systematic Names

  • 1-Propanesulfonic acid, 3-(cyclohexylamino)-
  • 3-Cyclohexylaminopropane-1-sulphonic acid

Registry Numbers

CAS Registry Number

  • 1135-40-6

FDA UNII

  • 4W981O1LXP

System Generated Number

  • 0001135406

Structure Descriptors

InChI

1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)

InChIKey

PJWWRFATQTVXHA-UHFFFAOYSA-N

Smiles

O=S(=O)(O)CCCNC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 302.5 deg C   EXP
pKa Dissociation Constant 10.35 (none)   EXP
log P (octanol-water) -0.130 (none)   EST
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.