948595-01-5

Name (R)-(+)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
CAS 948595-01-5
Molecular Formula C21H27NO
MDL Number MFCD10566963
Molecular Weight 309.45
MOL File 948595-01-5.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)
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-XKGZFIRZNA-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

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H400
Precautionary statements  P264-P270-P301+P312-P330-P501-P273-P391-P501
Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 3

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