Basic information
- CAS
103-47-9- Standard SMILES
O=S(=O)(O)CCNC1CCCCC1- InChIKey
MKWKNSIESPFAQN-UHFFFAOYSA-N- Molecular formula
- C8H17NO3S
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.09291458
Overview
N-cyclohexyl-2-aminoethanesulfonic acid is an alkanesulfonic acid that is cyclohexanamine in which one of the amino hydrogens is substituted by a 2-sulfoethyl group. It is used as a buffer (pH range of 8.6-10.0) for studying pH-dependent processes in enzymology. It has a role as a Good's buffer substance. It is an alkanesulfonic acid and a secondary aliphatic amine.
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)ethanesulfonic acid
- IUPAC
- 2-(cyclohexylamino)ethanesulfonic acid
- English name
- CHES
- Molecular formula
- C8H17NO3S
- Molecular weight
- 207.29
Names & synonyms
N-Cyclohexyltaurine103-47-9CHES2-(Cyclohexylamino)ethanesulfonic acid2-(N-Cyclohexylamino)ethanesulfonic acid2-(cyclohexylamino)ethane-1-sulfonic acidEthanesulfonic acid, 2-(cyclohexylamino)-N-Cyclohexyl-2-aminoethanesulfonic acid71X53V3RZ1NSC-120726DTXSID7059274CHEBI:44302
Show more names
MethylidenecyclobutaneCYCLOHEXYLAMINOETHANESULFONIC ACID2-(N-CYCLOHEXYLAMINO)ETHANESULPHONIC ACIDN-CycLCHES),CHCHES, 98+%CHES, ULTROLCHES ULTRAPURE
RefChem:163163DTXCID2032762203-115-6Beef extract2-Cyclohexylaminoethanesulfonic AcidTaurine, N-cyclohexyl-2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDMFCD00003835
Database identifiers
- CAS
103-47-9- PubChem CID
- 66898
- DTXSID
DTXSID7059274
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biological Buffers
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 300 °C · ≥300 °C
- Density
- 1.2045 · 1.2045 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.5364 · 1.5364 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 2 O: · H2O: 0.5 M at 20 °C, clear, colorless
- form
- Solid
- color
- White
- PH
- 3 · 3.0-5.0 (25℃, 0.5M in H2O)
- pka
- 9.3 · 9.3(at 25℃)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 70.4% (114 of 162) of all reports.
Warning
H319 (29.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanesulfonic acid, 2-(cyclohexylamino)-
REACH registered substance: 2-(cyclohexylamino)ethanesulphonic acid (EC: 203-115-6)
Hazards SummaryA strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (29.6%)
Safety data
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29213099
- risk_code
- 36-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-28-24/25-16-60
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H319
Chemistry & industry
Uses & manufacturing
UsesUsed as a biological buffer; [Merck Index]
General Manufacturing InformationEthanesulfonic acid, 2-(cyclohexylamino)-: ACTIVE
Applications
UsesCHES is zwitterionic buffer useful in pH range 8.6 to 10.0.CHES is widely utilized as a buffer which is used for investigations on pH-dependent processes in enzymology. It has been shown to have an unusually high affinity for the iodoacetate binding site of liver alcohol dehydrogenase.
Uses2-(Cyclohexylamino)ethanesulfonic acid (CHES) has been used in the preparation of dimethyl trisulfide- polysorbate 80 (DMTS-PS80) formulation.
General DescriptionCHES (2-(N-cyclohexylamino)ethanesulphonic acid) is regarded as Good′s buffers for its self-buffering and biocompatible feature. It is used in protein stabilization and does not interact with metals.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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