Home Amines 439116-13-9
439116-13-9,MFCD06739066
Catalog No.:AA00D89D

439116-13-9 | (2-AMINOMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER

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100mg
≥ 90%
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$243.00   $170.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D89D
Chemical Name:
(2-AMINOMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
439116-13-9
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD06739066
SMILES:
NCc1ccccc1CNC(=O)OC(C)(C)C
Properties
Properties
 
BP:
378.7±30.0°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Rittle,KennethE.;Barrow,JamesC.;Cutrona,KellieJ.;Glass,KristenL.;Krueger,JulieA.;Kuo,LawrenceC.;Lewis,S.Dale;Lucas,BobbyJ.;McMasters,DanielR.;Morrissette,MatthewM.;Nantermet,PhilippeG.;Newton,ChristinaL.;Sanders,WilliamM.;Yan,Youwei;Vacca,JosephP.;Selnick,HaroldG.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#20,p.3477-3482]

[1]CurrentPatentAssignee:BTELMACHJOHNE;MERCK&COINC;MULHEAMLAMES-WO2018/93694,2018,A1

Literature
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SDS
Tags:439116-13-9 Molecular Formula|439116-13-9 MDL|439116-13-9 SMILES|439116-13-9 (2-AMINOMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER