+1 858-523-8231
Login | Register
menu
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
204078-86-4,MFCD11144635
Catalog No.:AA007152

204078-86-4 | 2-(Isobutylamino)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$139.00   $97.00
- +
5g
97%
in stock  
$393.00   $275.00
- +
25g
97%
in stock  
$1,345.00 $942.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007152
Chemical Name:
2-(Isobutylamino)benzonitrile
CAS Number:
204078-86-4
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11144635
SMILES:
N#Cc1ccccc1NCC(C)C
Properties
Computed Properties
 
Complexity:
190  
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTELLASPHARMAINC.-US2002/193389,2002,A1

[2]CurrentPatentAssignee:KIRINHOLDINGSCO.,LTD.;KyowaKirin(in:KirinHoldings)-US6127541,2000,A

[1]Li,Lianhai;Chua,WaeprilKimberlyS.[TetrahedronLetters,2011,vol.52,#14,p.1574-1577]

2417-73-4    204078-86-4   
C20H22N2O2 

[1]Locationinpatent:experimentalpartLi,Lianhai;Chua,WaeprilKimberlyS.[TetrahedronLetters,2011,vol.52,#14,p.1574-1577]

204078-86-4    103-80-0   
N-(2-cyanophenyl)-N-isobutyl-2-phenylacetamide 

[1]Deng,Youqian;Yu,Jin-Quan[AngewandteChemie-InternationalEdition,2015,vol.54,#3,p.888-891][Angew.Chem.,2014,vol.54-127,#3,p.902-905]

204078-86-4    103-80-0   
C24H26N2O3 

[1]Deng,Youqian;Yu,Jin-Quan[AngewandteChemie-InternationalEdition,2015,vol.54,#3,p.888-891][Angew.Chem.,2014,vol.54-127,#3,p.902-905]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
Submit
SDS
Related Products of 204078-86-4
Building Blocks
More >
Tags:204078-86-4 Molecular Formula|204078-86-4 MDL|204078-86-4 SMILES|204078-86-4 2-(Isobutylamino)benzonitrile
Catalog No.: AA007152
204078-86-4,MFCD11144635
204078-86-4 | 2-(Isobutylamino)benzonitrile
Pack Size： 1g
Purity： 97%
in stock
$139.00 $97.00
Pack Size： 5g
Purity： 97%
in stock
$393.00 $275.00
Pack Size： 25g
Purity： 97%
in stock
$1,345.00 $942.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007152
Chemical Name: 2-(Isobutylamino)benzonitrile
CAS Number: 204078-86-4
Molecular Formula: C11H14N2
Molecular Weight: 174.2423
MDL Number: MFCD11144635
SMILES: N#Cc1ccccc1NCC(C)C
Properties
Complexity: 190  
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
394-47-8    78-81-9    204078-86-4 

[1]CurrentPatentAssignee:ASTELLASPHARMAINC.-US2002/193389,2002,A1

[2]CurrentPatentAssignee:KIRINHOLDINGSCO.,LTD.;KyowaKirin(in:KirinHoldings)-US6127541,2000,A

2417-73-4    204078-86-4    1294507-79-1 

[1]Li,Lianhai;Chua,WaeprilKimberlyS.[TetrahedronLetters,2011,vol.52,#14,p.1574-1577]

2417-73-4    204078-86-4   
C20H22N2O2 

[1]Locationinpatent:experimentalpartLi,Lianhai;Chua,WaeprilKimberlyS.[TetrahedronLetters,2011,vol.52,#14,p.1574-1577]

204078-86-4    103-80-0   
N-(2-cyanophenyl)-N-isobutyl-2-phenylacetamide 

[1]Deng,Youqian;Yu,Jin-Quan[AngewandteChemie-InternationalEdition,2015,vol.54,#3,p.888-891][Angew.Chem.,2014,vol.54-127,#3,p.902-905]

204078-86-4    103-80-0   
C24H26N2O3 

[1]Deng,Youqian;Yu,Jin-Quan[AngewandteChemie-InternationalEdition,2015,vol.54,#3,p.888-891][Angew.Chem.,2014,vol.54-127,#3,p.902-905]

Related Products of of 204078-86-4
Building Blocks More >
4271-48-1
4271-48-1
2-ethenylsulfonylethanol
AA0071M4 | MFCD23160709
13366-81-9
13366-81-9
4-Cyclooctene-1-methanol
AA00723B | MFCD31421869
423731-96-8
423731-96-8
4-(5-Methylfuran-2-carboxamido)benzoic acid
AA0072JF | MFCD00298017
42292-18-2
42292-18-2
1-Propanamine,3-[methylbis[(trimethylsilyl)oxy]silyl]-
AA0072Y1 | MFCD01320926
436086-99-6
436086-99-6
N-(Pyridin-4-ylmethyl)-n-(tetrahydrofuran-2-ylmethyl)amine
AA0073FU | MFCD03021422
40904-87-8
40904-87-8
3,6-Dimethoxyphthalonitrile
AA0073X5 | MFCD00884659
120889-04-5
120889-04-5
2H-Imidazo[4,5-b]pyridin-2-one,1,3-dihydro-1-methyl-6-phenyl-
AA0074DY
184577-40-0
184577-40-0
Benzenepropanol, a-1-propyn-1-yl-
AA00750V | MFCD16251492
186598-40-3
186598-40-3
Silanediamine, N,N'-bis(1,1-dimethylethyl)-
AA0075IM | MFCD03411245
40023-04-9
40023-04-9
2-Chloro-n-methyl-n-(1-phenylethyl)acetamide
AA0075YJ | MFCD06655341
Submit
© 2017 AA BLOCKS, INC. All rights reserved.