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86225-78-7,MFCD09733813
Catalog No.:AA00IDVY

86225-78-7 | 4-(1-Aminoethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$261.00   $183.00
- +
250mg
95%
in stock  
$361.00   $253.00
- +
1g
95%
in stock  
$976.00   $683.00
- +
5g
95%
in stock  
$2,821.00 $1,975.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IDVY
Chemical Name:
4-(1-Aminoethyl)benzonitrile
CAS Number:
86225-78-7
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD09733813
SMILES:
N#Cc1ccc(cc1)C(N)C
Properties
Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Patent:US6455671,2002,B1

71760-04-8    38675-10-4    86225-78-7   
Boc-(D)-phenylalanylproline(α-methyl-4-cyano)benzylamide 

[1]Patent:US5932567,1999,A

[1]CurrentPatentAssignee:KANTOKAGAKUHOLDINGSK.K.-US2016/60282,2016,A1Locationinpatent:Paragraph0200

[2]Polishchuk,Iuliia;Sklyaruk,Jan;Lebedev,Yury;Rueping,Magnus[Chemistry-AEuropeanJournal,2021,vol.27,#19,p.5919-5922]

[3]CurrentPatentAssignee:KANTOKAGAKUHOLDINGSK.K.-US2010/234596,2010,A1Locationinpatent:Page/Pagecolumn13

[4]Tanaka,Kouichi;Miki,Takashi;Murata,Kunihiko;Yamaguchi,Ayumi;Kayaki,Yoshihito;Kuwata,Shigeki;Ikariya,Takao;Watanabe,Masahito[JournalofOrganicChemistry,2019,vol.84,#17,p.10962-10977]

[5]Qi,Bing;Li,Lei;Wang,Qi;Zhang,Wenjing;Fang,Lili;Zhu,Jin[OrganicLetters,2019,vol.21,#17,p.6860-6863]

[6]Chu,Benfa;Fang,Lili;Guo,Shan;Qi,Bing;Shi,Pengfei;Wang,Qi;Zhu,Jin[TetrahedronLetters,2020]

[7]Nguyen,DatP.;Sladek,RudolphN.;Do,LoiH.[TetrahedronLetters,2020,vol.61,#32]

Literature
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SDS
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Tags:86225-78-7 Molecular Formula|86225-78-7 MDL|86225-78-7 SMILES|86225-78-7 4-(1-Aminoethyl)benzonitrile
Catalog No.: AA00IDVY
86225-78-7,MFCD09733813
86225-78-7 | 4-(1-Aminoethyl)benzonitrile
Pack Size： 100mg
Purity： 95%
in stock
$261.00 $183.00
Pack Size： 250mg
Purity： 95%
in stock
$361.00 $253.00
Pack Size： 1g
Purity： 95%
in stock
$976.00 $683.00
Pack Size： 5g
Purity： 95%
in stock
$2,821.00 $1,975.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IDVY
Chemical Name: 4-(1-Aminoethyl)benzonitrile
CAS Number: 86225-78-7
Molecular Formula: C9H10N2
Molecular Weight: 146.1891
MDL Number: MFCD09733813
SMILES: N#Cc1ccc(cc1)C(N)C
Properties
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Downstream Synthesis Route
71760-04-8    38675-10-4    86225-78-7    182159-22-4 

[1]Patent:US6455671,2002,B1

71760-04-8    38675-10-4    86225-78-7   
Boc-(D)-phenylalanylproline(α-methyl-4-cyano)benzylamide 

[1]Patent:US5932567,1999,A

1443-80-7    86225-78-7 

[1]CurrentPatentAssignee:KANTOKAGAKUHOLDINGSK.K.-US2016/60282,2016,A1Locationinpatent:Paragraph0200

[2]Polishchuk,Iuliia;Sklyaruk,Jan;Lebedev,Yury;Rueping,Magnus[Chemistry-AEuropeanJournal,2021,vol.27,#19,p.5919-5922]

[3]CurrentPatentAssignee:KANTOKAGAKUHOLDINGSK.K.-US2010/234596,2010,A1Locationinpatent:Page/Pagecolumn13

[4]Tanaka,Kouichi;Miki,Takashi;Murata,Kunihiko;Yamaguchi,Ayumi;Kayaki,Yoshihito;Kuwata,Shigeki;Ikariya,Takao;Watanabe,Masahito[JournalofOrganicChemistry,2019,vol.84,#17,p.10962-10977]

[5]Qi,Bing;Li,Lei;Wang,Qi;Zhang,Wenjing;Fang,Lili;Zhu,Jin[OrganicLetters,2019,vol.21,#17,p.6860-6863]

[6]Chu,Benfa;Fang,Lili;Guo,Shan;Qi,Bing;Shi,Pengfei;Wang,Qi;Zhu,Jin[TetrahedronLetters,2020]

[7]Nguyen,DatP.;Sladek,RudolphN.;Do,LoiH.[TetrahedronLetters,2020,vol.61,#32]

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