ChemicalBook--->CAS DataBase List--->174291-96-4

174291-96-4

174291-96-4 Structure

174291-96-4 Structure
IdentificationBack Directory
[Name]

(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
[CAS]

174291-96-4
[Synonyms]

(-)-TsCYDN
(R,R)-Ts-CDA
(1R,2R)-(-)-N-p-Tosyl-1,2-cyclohexanediamine 97%
(1R,2R)-N-p-Tosyl-1,2-cyclohexanediamine,99%e.e.
N-((1R,2R)-2-amin℃yclohexyl)-4-methylbenzenesulfonamide
(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
Benzenesulfonamide, N-[(1R,2R)-2-aminocyclohexyl]-4-methyl-
[Molecular Formula]

C13H20N2O2S
[MDL Number]

MFCD09842716
[MOL File]

174291-96-4.mol
[Molecular Weight]

268.38
Chemical PropertiesBack Directory
[Melting point ]

105-109°C
[Boiling point ]

417.4±55.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

solid
[pka]

11.69±0.40(Predicted)
[Appearance]

White to off-white Solid
[Optical Rotation]

[α]22/D -41.0, c = 1 in chloroform
[InChI]

1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1
[InChIKey]

VVOFSHARRCJLLA-CHWSQXEVSA-N
[SMILES]

Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CCCC[C@H]2N
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Chiral ligand for asymmetric transfer hydrogen.
Spectrum DetailBack Directory
[Spectrum Detail]

(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE(174291-96-4)1HNMR
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