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Home Amines 68502-22-7
68502-22-7,MFCD13343839
Catalog No.:AA00IBRL

68502-22-7 | Methyl 3-amino-4-(benzylamino)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$170.00   $119.00
- +
5g
98%
in stock  
$594.00   $416.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IBRL
Chemical Name:
Methyl 3-amino-4-(benzylamino)benzoate
CAS Number:
68502-22-7
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
MDL Number:
MFCD13343839
SMILES:
COC(=O)c1ccc(c(c1)N)NCc1ccccc1
Properties
Computed Properties
 
Complexity:
290  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Patent:WO2014/73904,2014,A1.Locationinpatent:Paragraph1448-1451

[2]IlFarmaco,1996,vol.51,p.53-58

[3]IlFarmaco,1998,vol.53,p.415-420

[4]BioorganicandMedicinalChemistry,2005,vol.13,p.1587-1597

[5]BioorganicandMedicinalChemistry,2007,vol.15,p.2106-2119

[6]ACSCombinatorialScience,2016,vol.18,p.162-169

[7]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.427-438

[8]ACSCombinatorialScience,2017,vol.19,p.271-275

[9]Patent:DD137939,1979,U    Chem.Abstr.,1979,vol.90    Chem.Abstr.,1979,vol.90

[10]ChemicalBiologyandDrugDesign,2019,vol.93,p.617-627

[11]JournalofMedicinalChemistry,2021,vol.64,p.14664-14701

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.2106-2119

[2]ChemicalBiologyandDrugDesign,2019,vol.93,p.617-627

15197-75-8    68502-22-7   
C23H23N3O3 

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.5048-5055

3973-08-8    68502-22-7   
C19H17N3O3S 

[1]ArchivderPharmazie,2011,vol.344,p.78-83

Literature
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SDS
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