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53624-18-3,MFCD02252822
Catalog No.:AA00DD1I

53624-18-3 | 4-(Allylamino)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$64.00   $45.00
- +
1g
95%
in stock  
$123.00   $86.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DD1I
Chemical Name:
4-(Allylamino)benzoic acid
CAS Number:
53624-18-3
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD02252822
SMILES:
C=CCNc1ccc(cc1)C(=O)O
NSC Number:
138298
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:JGFARBENINDUSTRIE-DE431166,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

150-13-0    106-95-6    53624-18-3   
4-allylamino-benzoicacidallylester 

[1]Dominikiewicz;Kijewska[ArchiwumChemjiiFarmacji,1939,vol.4,p.8,15,16][Chem.Abstr.,1940,p.740]

[1]CurrentPatentAssignee:FRASCHIGDR-DE431116,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

[1]CurrentPatentAssignee:JGFARBENINDUSTRIE-DE431166,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

[1]CurrentPatentAssignee:NEWYORKUNIVERSITY-WO2011/31921,2011,A1

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
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SDS
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Tags:53624-18-3 Molecular Formula|53624-18-3 MDL|53624-18-3 SMILES|53624-18-3 4-(Allylamino)benzoic acid
Catalog No.: AA00DD1I
53624-18-3,MFCD02252822
53624-18-3 | 4-(Allylamino)benzoic acid
Pack Size： 100mg
Purity： 95%
in stock
$64.00 $45.00
Pack Size： 1g
Purity： 95%
in stock
$123.00 $86.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DD1I
Chemical Name: 4-(Allylamino)benzoic acid
CAS Number: 53624-18-3
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998
MDL Number: MFCD02252822
SMILES: C=CCNc1ccc(cc1)C(=O)O
NSC Number: 138298
Properties
Form: Solid  
Complexity: 183  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
64-17-5    53624-18-3    73779-71-2 

[1]CurrentPatentAssignee:JGFARBENINDUSTRIE-DE431166,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

150-13-0    106-95-6    53624-18-3   
4-allylamino-benzoicacidallylester 

[1]Dominikiewicz;Kijewska[ArchiwumChemjiiFarmacji,1939,vol.4,p.8,15,16][Chem.Abstr.,1940,p.740]

106-95-6    53624-18-3 

[1]CurrentPatentAssignee:FRASCHIGDR-DE431116,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

53624-18-3    19170-56-0 

[1]CurrentPatentAssignee:JGFARBENINDUSTRIE-DE431166,1926,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.15,p.1441]

619-45-4    53624-18-3 

[1]CurrentPatentAssignee:NEWYORKUNIVERSITY-WO2011/31921,2011,A1

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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