Name: Name:Methyl 3-amino-4-(benzylamino)benzoate
Brand: AABLOCKS
SKU: AA00IBRL
Rating: 90 (10 reviews)

Catalog No.: AA00IBRL

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

Pack Size： 1g

Purity： 98%

in stock

$162.00 $114.00

Pack Size： 5g

Purity： 98%

in stock

$567.00 $397.00

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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

Complexity: 290

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Downstream Synthesis Route

68502-46-5

68502-22-7

[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

3987-92-6

68502-22-7

[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

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