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1135-40-6 molecular structure
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3-(cyclohexylamino)propane-1-sulfonic acid

ChemBase ID: 1971
Molecular Formular: C9H19NO3S
Molecular Mass: 221.31706
Monoisotopic Mass: 221.10856447
SMILES and InChIs

SMILES:
OS(=O)(=O)CCCNC1CCCCC1
Canonical SMILES:
OS(=O)(=O)CCCNC1CCCCC1
InChI:
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

Cite this record

CBID:1971 http://www.chembase.cn/molecule-1971.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(cyclohexylamino)propane-1-sulfonic acid
IUPAC Traditional name
caps (buffer)
CAPS
Synonyms
Cyclohexylaminopropane sulfonic acid
3(Cyclohexylamino)-1-propanesulfonic acid
CAPS
3-(Cyclohexylamino)-1-propanesulfonic acid
3-Cyclohexylamino-1-propanesulfonic acid
3-Cyclohexylaminopropanesulfonic acid
3-Cyclohexyl-1-Propylsulfonic Acid
CAPS (buffer)
CAPS
Buffer solution HPCE pH 10.5
CAPS buffer solution pH 11.0 for HPCE
Buffer solution HPCE pH 11.0
CAPS buffer solution
Buffer solution HPCE pH 10.0
3-(环己胺)-1-丙磺酸
3-(环己胺)-1-丙磺酸
用于 HPCE 的 pH 10.5 缓冲溶液
用于 HPCE 的 pH 11.0 CAPS 缓冲溶液
用于 HPCE 的 pH 11.0 缓冲溶液
CAPS 缓冲液 溶液
用于 HPCE 的 pH 10.0 缓冲溶液
CAS Number
1135-40-6
EC Number
231-791-2
214-492-1
MDL Number
MFCD00003837
Beilstein Number
2835588
Merck Index
141767
PubChem SID
160965426
24892508
24887926
46506121
24857653
24892833
24888011
24887927
PubChem CID
70815
Wikipedia Title
CAPS_(buffer)

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -0.5311546  H Acceptors
H Donor LogD (pH = 5.5) -0.5317827 
LogD (pH = 7.4) -0.5321348  Log P -0.5317805 
Molar Refractivity 55.2593 cm3 Polarizability 22.757488 Å3
Polar Surface Area 66.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.84  LOG S -2.17 
Solubility (Water) 1.51e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.5 M at 20 °C, clear, colorless expand Show data source
Melting Point
>300 °C expand Show data source
>300 °C(lit.) expand Show data source
>300°C expand Show data source
324°C expand Show data source
Absorption Wavelength
A0.5M/260, H2O ≤0.2 expand Show data source
A0.5M/280, H2O ≤0.2 expand Show data source
λ: 260 nm Amax: 0.04 expand Show data source
λ: 280 nm Amax: 0.04 expand Show data source
pKa
10.4 expand Show data source
Conductivity
~0.2 mS/cm at 20 °C expand Show data source
~0.5 mS/cm at 20 °C expand Show data source
~0.9 mS/cm at 20 °C expand Show data source
Fluorescence
λex 200-600 nm; λem 300-800 nm (corresponds) expand Show data source
λex 200-600; λem 300-800 nm (corresponds) expand Show data source
pH
10.0 (25 °C) expand Show data source
10.5 (25 °C) expand Show data source
11.0 (25 °C) expand Show data source
3.0-7.0 (20 °C, 0.5 M in H2O) expand Show data source
3.5-6.0 (25 °C, 0.5 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
TZ6395000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37-60 expand Show data source
S22 S24/25 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Purity
≥98.0% expand Show data source
≥98.0% NaOH basis (titration) expand Show data source
≥99.0% (TLC) expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
20 mM CAPS [3-(cyclohexylamino)-1-propane sulfonic acid] expand Show data source
Grade
for HPCE expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
in accordance for HPCE expand Show data source
Ignition Residue
≤0.05% expand Show data source
≤0.1% expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
sulfate (SO42-): ≤150 mg/kg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Loss on Drying
≤1% loss on drying, 110 °C expand Show data source
pH Range
9.7 - 11.1 expand Show data source
λ
0.05 M in H2O expand Show data source
Useful pH Range
9.7 - 11.1 expand Show data source
Product Line
BioUltra expand Show data source
abs.
UV absorption/200-800 nm in accordance expand Show data source
Linear Formula
C6H11NH(CH2)3SO3H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02101435 external link
pKa=10.4
Useful pH range 9.7-11.1
DrugBank - DB02219 external link
Drug information: experimental
Sigma Aldrich - 29337 external link
Other Notes
Buffer for studying pH-dependent processes in enzymology1; Eluent buffer component in the separation of basic drugs by HPLC2
Sigma Aldrich - C2632 external link
包装
1 kg in poly drum
25, 100, 250 g in poly bottle
Sigma Aldrich - 163767 external link
Application
Buffer.
Sigma Aldrich - 82607 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82608 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82606 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Buffer, pKa = 10.40 at 20o: Biochemistry, 5, 467 (1966).
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PATENTS

PATENTS

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INTERNET

INTERNET

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