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Home Amines 158576-31-9
158576-31-9,MFCD32206307
Catalog No.:AA001Q8D

158576-31-9 | Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
1 week  
$195.00   $136.00
- +
250mg
95%
1 week  
$291.00   $204.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001Q8D
Chemical Name:
Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
CAS Number:
158576-31-9
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
MDL Number:
MFCD32206307
SMILES:
CCCCC(COC(=O)c1ccc(cc1)NC)CC
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.9  

Downstream Synthesis Route
21245-02-3   
2-ethylhexyl4-(methylamino)benzoate 

[1]Wu,Guolin;Li,Yazhen;Yu,Xuemei;Gao,Yu;Chen,Haijun[AdvancedSynthesisandCatalysis,2017,vol.359,#4,p.687-692]

Literature
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Additional Info:
SDS
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Tags:158576-31-9 Molecular Formula|158576-31-9 MDL|158576-31-9 SMILES|158576-31-9 Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester