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1381947-47-2,MFCD12755535
Catalog No.:AA01C8WT
1381947-47-2 | rac-(3R,4S)-1-benzyl-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid, trans
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$200.00
- +
250mg
95.0%
3 weeks  
$272.00
- +
500mg
95.0%
3 weeks  
$488.00
- +
1g
95.0%
3 weeks  
$686.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01C8WT
Chemical Name:
rac-(3R,4S)-1-benzyl-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid, trans
CAS Number:
1381947-47-2
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
MDL Number:
MFCD12755535
IUPAC Name:
(3R,4R)-1-benzyl-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C19H21NO2/c1-14-6-5-9-16(10-14)17-12-20(13-18(17)19(21)22)11-15-7-3-2-4-8-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChI Key:
KKSMMUXMPIVMCZ-ROUUACIJSA-N
SMILES:
Cc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
ZINC117456489 
rac-(3R,4S)-1-benzyl-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid, trans 
1381947-47-2 
Literature
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