131180-63-7

Name (S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
CAS 131180-63-7
Molecular Formula C21H27NO
MDL Number MFCD10566962
Molecular Weight 309.45
MOL File 131180-63-7.mol

Chemical Properties

Melting point  98-101 °C
Boiling point  488.2±35.0 °C(Predicted)
density  1.068±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 13.70±0.29(Predicted)
Appearance White to yellow Solid
Optical Rotation Consistent with structure
InChI InChI=1/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/s3
InChIKey MXIOBZPVLNQGIU-FQEVSTJZSA-N
SMILES C1N[C@H](C(O)(C2C=C(C)C=C(C)C=2)C2C=C(C)C=C(C)C=2)CC1 |&1:2,r|

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3

Hazard Information

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