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5623-99-4,MFCD01895702
Catalog No.:AA00DG9C

5623-99-4 | 2-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
2 weeks  
$909.00   $636.00
- +
1g
2 weeks  
$949.00   $665.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DG9C
Chemical Name:
2-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile
CAS Number:
5623-99-4
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
MDL Number:
MFCD01895702
SMILES:
N#CCN1CCN(CC1)CC#N
NSC Number:
86964
Properties
Properties
 
Form:
Solid  
MP:
161-163°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.4  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2009,vol.17,p.13-24

[2]Patent:US2006/3970,2006,A1.Locationinpatent:Page/Pagecolumn14;24

[3]JournalofMedicinalChemistry,2001,vol.44,p.1407-1415

[4]Patent:WO2010/78449,2010,A2.Locationinpatent:Page/Pagecolumn219-220

[5]JournalofMedicinalChemistry,2003,vol.46,p.5790-5802

Literature

Title: 2,2'-(Piperazine-1,4-di-yl)diacetonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Quotation Request
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SDS
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Tags:5623-99-4 Molecular Formula|5623-99-4 MDL|5623-99-4 SMILES|5623-99-4 2-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile
Catalog No.: AA00DG9C
5623-99-4,MFCD01895702
5623-99-4 | 2-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile
Pack Size： 500mg
Purity：
2 weeks
$909.00 $636.00
Pack Size： 1g
Purity：
2 weeks
$949.00 $665.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DG9C
Chemical Name: 2-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile
CAS Number: 5623-99-4
Molecular Formula: C8H12N4
Molecular Weight: 164.2077
MDL Number: MFCD01895702
SMILES: N#CCN1CCN(CC1)CC#N
NSC Number: 86964
Properties
Form: Solid  
MP: 161-163°C  
Storage: 2-8℃;  
Complexity: 196  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.4  
Downstream Synthesis Route
5623-99-4    6531-38-0 

[1]BioorganicandMedicinalChemistry,2009,vol.17,p.13-24

[2]Patent:US2006/3970,2006,A1.Locationinpatent:Page/Pagecolumn14;24

[3]JournalofMedicinalChemistry,2001,vol.44,p.1407-1415

[4]Patent:WO2010/78449,2010,A2.Locationinpatent:Page/Pagecolumn219-220

[5]JournalofMedicinalChemistry,2003,vol.46,p.5790-5802

Literature fold

Title: 2,2'-(Piperazine-1,4-di-yl)diacetonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20120601

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