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63086-36-2,MFCD02094033
Catalog No.:AA003SOU

63086-36-2 | N-Benzylaminoacetonitrile hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$35.00   $25.00
- +
5g
98%
in stock  
$75.00   $53.00
- +
25g
98%
in stock  
$266.00   $186.00
- +
100g
98%
in stock  
$774.00 $542.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003SOU
Chemical Name:
N-Benzylaminoacetonitrile hydrochloride
CAS Number:
63086-36-2
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD02094033
SMILES:
N#CCNCc1ccccc1.Cl
Properties
Properties
 
Form:
Solid  
MP:
145-149℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
139  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]Jones[JournaloftheAmericanChemicalSociety,1949,vol.71,p.644,645]

[1]Baker;Ollis;Poole[JournaloftheChemicalSociety,1949,p.307,314]

[1]Baker;Ollis;Poole[JournaloftheChemicalSociety,1949,p.307,314]

[1]Spence,T.W.M.;Tennant,G.[JournaloftheChemicalSociety.PerkintransactionsI,1972,p.97-102]

[1]Harker,WesleyR.R.;Delaney,PatrickM.;Simms,Michael;Tozer,MatthewJ.;Harrity,JosephP.A.[Tetrahedron,2013,vol.69,#5,p.1546-1552]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/200843,2015,A1Locationinpatent:Paragraph00106

[3]Vekemans;PollersWieers;Hoornaert[JournalofHeterocyclicChemistry,1983,vol.20,#4,p.919-923]

[4]Francois,IsabelleE.J.A.;Cammue,BrunoP.A.;Bresseleers,Sara;Fleuren,Hein;Hoornaert,Georges;Mehta,VaibhavP.;Modha,SachinG.;VanderEycken,ErikV.;Thevissen,Karin[BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4064-4066]

[5]Wallace,MichaelB.;Scorah,Nicholas;Vu,PhongH.;Brown,JasonW.;Stafford,JeffreyA.;Dong,Qing[TetrahedronLetters,2010,vol.51,#13,p.1739-1741]

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:63086-36-2 Molecular Formula|63086-36-2 MDL|63086-36-2 SMILES|63086-36-2 N-Benzylaminoacetonitrile hydrochloride
Catalog No.: AA003SOU
63086-36-2,MFCD02094033
63086-36-2 | N-Benzylaminoacetonitrile hydrochloride
Pack Size： 1g
Purity： 98%
in stock
$35.00 $25.00
Pack Size： 5g
Purity： 98%
in stock
$75.00 $53.00
Pack Size： 25g
Purity： 98%
in stock
$266.00 $186.00
Pack Size： 100g
Purity： 98%
in stock
$774.00 $542.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003SOU
Chemical Name: N-Benzylaminoacetonitrile hydrochloride
CAS Number: 63086-36-2
Molecular Formula: C9H11ClN2
Molecular Weight: 182.6500
MDL Number: MFCD02094033
SMILES: N#CCNCc1ccccc1.Cl
Properties
Form: Solid  
MP: 145-149℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 139  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
67-56-1    63086-36-2    123017-47-0 

[1]Jones[JournaloftheAmericanChemicalSociety,1949,vol.71,p.644,645]

50-00-0    151-50-8    39110-74-2    63086-36-2 

[1]Baker;Ollis;Poole[JournaloftheChemicalSociety,1949,p.307,314]

63086-36-2    17136-36-6 

[1]Baker;Ollis;Poole[JournaloftheChemicalSociety,1949,p.307,314]

63086-36-2    610-14-0    35118-29-7 

[1]Spence,T.W.M.;Tennant,G.[JournaloftheChemicalSociety.PerkintransactionsI,1972,p.97-102]

79-37-8    63086-36-2    87486-35-9 

[1]Harker,WesleyR.R.;Delaney,PatrickM.;Simms,Michael;Tozer,MatthewJ.;Harrity,JosephP.A.[Tetrahedron,2013,vol.69,#5,p.1546-1552]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/200843,2015,A1Locationinpatent:Paragraph00106

[3]Vekemans;PollersWieers;Hoornaert[JournalofHeterocyclicChemistry,1983,vol.20,#4,p.919-923]

[4]Francois,IsabelleE.J.A.;Cammue,BrunoP.A.;Bresseleers,Sara;Fleuren,Hein;Hoornaert,Georges;Mehta,VaibhavP.;Modha,SachinG.;VanderEycken,ErikV.;Thevissen,Karin[BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4064-4066]

[5]Wallace,MichaelB.;Scorah,Nicholas;Vu,PhongH.;Brown,JasonW.;Stafford,JeffreyA.;Dong,Qing[TetrahedronLetters,2010,vol.51,#13,p.1739-1741]

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