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(1S,2S)-(−)-N,N′-Di-p-tosyl-1,2-cyclohexanediamine - 98%，98% e.e., high purity , CAS No.212555-28-7

COA

Cas Number: 212555-28-7
Molecular Weight: 422.56
MDL number: MFCD01863518
PubChem CID: 15259568
PubChem SID: 488198850

In stock

Item Number

S472340

Grouped product items
SKU	Size	Availability	Price
S472340-100g	100g	2	$1,451.90
S472340-1g	1g	6	$20.90
S472340-25g	25g	4	$403.90
S472340-5g	5g	5	$90.90

Basic Description

Synonyms	(1S,2S)-(-)-N,N'-Di-p-tosyl-1,2-cyclohexanediamine, 98% \| (1S,2S)-1,2-N,N'-Bis[(4-toluenesulfonyl)amino]cyclohexane \| (1S,2S)-(-)-N,N'-Di-p-tosyl-1,2-cyclohexanediamine \| (1S,2S)-()-N,N'-Di-p-tosyl-1,2-cyclohexanediamine \| MFCD01863518 \| J-007840 \| J-0139
Specifications & Purity	≥98%,≥98%(ee)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Tosyl compounds
Direct Parent	P-toluenesulfonamides
Alternative Parents	Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
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

Pubchem Sid	488198850
IUPAC Name	4-methyl-N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
INCHI	InChI=1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m0/s1
InChIKey	FIAAGQKYVFEMGC-PMACEKPBSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)C3=CC=C(C=C3)C
PubChem CID	15259568
Molecular Weight	422.56

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2309291	Certificate of Analysis	May 08, 2023	S472340
F2309284	Certificate of Analysis	May 08, 2023	S472340
F2309445	Certificate of Analysis	May 08, 2023	S472340
F2309289	Certificate of Analysis	May 08, 2023	S472340
F2309426	Certificate of Analysis	May 08, 2023	S472340
F2309454	Certificate of Analysis	May 08, 2023	S472340
F2309285	Certificate of Analysis	May 08, 2023	S472340
F2309450	Certificate of Analysis	May 08, 2023	S472340

Chemical and Physical Properties

Specific Rotation[α]	[α]22/D +3°， c = 2.33 in pyridine
Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	170-173℃ (lit.)
Molecular Weight	422.600 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	422.133 Da
Monoisotopic Mass	422.133 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	633.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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