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32961-44-7,MFCD00272560
Catalog No.:AA003QZO

32961-44-7 | Isobutyl 3,5-diamino-4-chloro benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$14.00   $10.00
- +
25g
98%
in stock  
$17.00   $12.00
- +
100g
98%
in stock  
$66.00   $46.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QZO
Chemical Name:
Isobutyl 3,5-diamino-4-chloro benzoate
CAS Number:
32961-44-7
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD00272560
SMILES:
CC(COC(=O)c1cc(N)c(c(c1)N)Cl)C
Properties
Properties
 
BP:
396.9°C at 760 mmHg  
Form:
Solid  
MP:
86-90 °C(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Patent:CN106478436,2017,A,.Locationinpatent:Paragraph0005;0006-0022

Downstream Synthesis Route
32961-44-7   
3,5-diamino-4-chlorobenzoicacid 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

Literature
Quotation Request
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SDS
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Tags:32961-44-7 Molecular Formula|32961-44-7 MDL|32961-44-7 SMILES|32961-44-7 Isobutyl 3,5-diamino-4-chloro benzoate
Catalog No.: AA003QZO
32961-44-7,MFCD00272560
32961-44-7 | Isobutyl 3,5-diamino-4-chloro benzoate
Pack Size： 1g
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 5g
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 25g
Purity： 98%
in stock
$17.00 $12.00
Pack Size： 100g
Purity： 98%
in stock
$66.00 $46.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QZO
Chemical Name: Isobutyl 3,5-diamino-4-chloro benzoate
CAS Number: 32961-44-7
Molecular Formula: C11H15ClN2O2
Molecular Weight: 242.7020
MDL Number: MFCD00272560
SMILES: CC(COC(=O)c1cc(N)c(c(c1)N)Cl)C
Properties
BP: 396.9°C at 760 mmHg  
Form: Solid  
MP: 86-90 °C(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 236  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Upstream Synthesis Route
58263-53-9    32961-44-7 

[1]Patent:CN106478436,2017,A,.Locationinpatent:Paragraph0005;0006-0022

Downstream Synthesis Route
32961-44-7   
3,5-diamino-4-chlorobenzoicacid 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

32961-44-7    1426244-74-7 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

32961-44-7    1426244-75-8 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

32961-44-7    1426244-76-9 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

32961-44-7    1426244-78-1 

[1]ChemistryofHeterocyclicCompounds,2013,vol.48,p.1508-1516    KhimiyaGeterotsiklicheskikhSoedinenii,2012,p.1620-1628,9

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