174291-96-4

Name (1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
CAS 174291-96-4
Molecular Formula C13H20N2O2S
MDL Number MFCD09842716
Molecular Weight 268.38
MOL File 174291-96-4.mol
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Chemical Properties

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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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