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Home Amines 168162-30-9
168162-30-9,MFCD11848820
Catalog No.:AA00B9SO

168162-30-9 | 3-(N-Boc-n-methylamino)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
97%
in stock  
$202.00   $142.00
- +
1g
97%
in stock  
$281.00   $197.00
- +
5g
97%
in stock  
$720.00   $504.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00B9SO
Chemical Name:
3-(N-Boc-n-methylamino)benzoic acid
CAS Number:
168162-30-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD11848820
SMILES:
O=C(N(c1cccc(c1)C(=O)O)C)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
321  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route
541-41-3    168162-30-9   
C16H21NO6 

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

[1]CurrentPatentAssignee:NATINSTOFBIOLOGICALSCIENCESBEIJING-WO2017/152842,2017,A1Locationinpatent:Paragraph0131;0132

[2]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

[2]CurrentPatentAssignee:TRIOMEDICINES-WO2016/20698,2016,A1

[3]CurrentPatentAssignee:NATINSTOFBIOLOGICALSCIENCESBEIJING-WO2017/152842,2017,A1

[4]CurrentPatentAssignee:CARNABIOSCIENCES,INC.;GILEADSCIENCESINC-WO2021/130638,2021,A1

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

Literature
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SDS
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