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Trans-[4-(methylamino)cyclohexyl]methanesulfonic acid - 97%, high purity , CAS No.2124221-12-9

COA

Grade & Purity:

≥97%

Cas Number: 2124221-12-9
Molecular Weight: 207.29
PubChem CID: 130297570

In stock

Item Number

T631715

Grouped product items
SKU	Size	Availability	Price
T631715-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
T631715-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
T631715-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90

Basic Description

Synonyms	Trans-[4-(methylamino)cyclohexyl]methanesulfonic acid \| 2124221-12-9 \| trans-(4-(Methylamino)cyclohexyl)methanesulfonic acid \| [4-(methylamino)cyclohexyl]methanesulfonic acid \| (4-(Methylamino)cyclohexyl)methanesulfonic acid \| SCHEMBL19205844 \| SCHEMBL192
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Organosulfonic acids
Alternative Parents	Sulfonyls Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Sulfonyl - Organosulfonic acid - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[4-(methylamino)cyclohexyl]methanesulfonic acid
INCHI	InChI=1S/C8H17NO3S/c1-9-8-4-2-7(3-5-8)6-13(10,11)12/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKey	VFGKCJQWKDYLOI-UHFFFAOYSA-N
Smiles	CNC1CCC(CC1)CS(=O)(=O)O
PubChem CID	130297570
Molecular Weight	207.29

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.290 g/mol
XLogP3	-2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	207.093 Da
Monoisotopic Mass	207.093 Da
Topological Polar Surface Area	74.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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