Home Amines 56619-97-7
56619-97-7,MFCD00449558
Catalog No.:AA00EE8V

56619-97-7 | 4-(2,2-Dimethylpropionylamino)benzoic acid

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Technical Information
Catalog Number:
AA00EE8V
Chemical Name:
4-(2,2-Dimethylpropionylamino)benzoic acid
CAS Number:
56619-97-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00449558
SMILES:
O=C(C(C)(C)C)Nc1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
273  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Onoda,Akira;Yamada,Yusuke;Takeda,Jiro;Nakayama,Yoshiki;Okamura,Taka-Aki;Doi,Mototsugu;Yamamoto,Hitoshi;Ueyama,Norikazu[BulletinoftheChemicalSocietyofJapan,2004,vol.77,#2,p.321-329]

[2]Okamura,Taka-Aki;Iwamura,Taku;Seno,Shuichiro;Yamamoto,Hitoshi;Ueyama,Norikazu[JournaloftheAmericanChemicalSociety,2004,vol.126,#49,p.15972-15973]

[3]CurrentPatentAssignee:ASAHIKASEICORPORATION-EP475531,1992,A1

[4]CurrentPatentAssignee:MILLIKEN&COMPANY-US9200142,2015,B2Locationinpatent:Page/Pagecolumn40

56619-97-7   
4-(2,2-dimethylpropionylamino)benzoicacidpotassiumsalt 

[1]CurrentPatentAssignee:MILLIKEN&COMPANY-US9200142,2015,B2Locationinpatent:Page/Pagecolumn40;41

56619-97-7   
4-(2,2-dimethylpropionylamino)benzoicacidcalciumsalt 

[1]CurrentPatentAssignee:MILLIKEN&COMPANY-US9200142,2015,B2Locationinpatent:Page/Pagecolumn41

56619-97-7   
C12H14ClNO2 

[1]Giovannoni,MariaPaola;Schepetkin,IgorA.;Quinn,MarkT.;Cantini,Niccolò;Crocetti,Letizia;Guerrini,Gabriella;Iacovone,Antonella;Paoli,Paola;Rossi,Patrizia;Bartolucci,Gianluca;Menicatti,Marta;Vergelli,Claudia[JournalofEnzymeInhibitionandMedicinalChemistry,2018,vol.33,#1,p.1108-1124]

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SDS
Tags:56619-97-7 Molecular Formula|56619-97-7 MDL|56619-97-7 SMILES|56619-97-7 4-(2,2-Dimethylpropionylamino)benzoic acid