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502482-37-3,MFCD07373381
Catalog No.:AA006VHA

502482-37-3 | S-2-tert-Butyl piperazine-2HCl

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006VHA
Chemical Name:
S-2-tert-Butyl piperazine-2HCl
CAS Number:
502482-37-3
Molecular Formula:
C8H18N2
Molecular Weight:
142.2419
MDL Number:
MFCD07373381
SMILES:
CC([C@@H]1NCCNC1)(C)C
Properties
Computed Properties
 
Complexity:
104  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2004/46111,2004,A1Locationinpatent:Page28

[1]Locationinpatent:schemeortableJimenez,Juan-Miguel;Davis,Christopher;Boyall,Dean;Fraysse,Damien;Knegtel,Ronald;Settimo,Luca;Young,Stephen;Bolton,Claire;Chiu,Peter;Curnock,Adam;Rasmussen,Richele;Tanner,Adam;Ager,Ian[BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4645-4649]

Literature
Quotation Request
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SDS
Tags:502482-37-3 Molecular Formula|502482-37-3 MDL|502482-37-3 SMILES|502482-37-3 S-2-tert-Butyl piperazine-2HCl