Home Amines 488787-59-3
488787-59-3,MFCD16661208
Catalog No.:AA00DL3U

488787-59-3 | (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile

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Technical Information
Catalog Number:
AA00DL3U
Chemical Name:
(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile
CAS Number:
488787-59-3
Molecular Formula:
C20H23FN2O2
Molecular Weight:
342.4072
MDL Number:
MFCD16661208
SMILES:
OCc1cc(C#N)ccc1[C@@](c1ccc(cc1)F)(CCCN(C)C)O
Properties
Properties
 
BP:
537.2°C at 760 mmHg  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
456  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
2.2  

Literature
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SDS
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Tags:488787-59-3 Molecular Formula|488787-59-3 MDL|488787-59-3 SMILES|488787-59-3 (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile