Home Amines 1000018-21-2
1000018-21-2,MFCD09864831
Catalog No.:AA00006E
1000018-21-2 | 1-Piperazinecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, phenylmethyl ester
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1mg
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3 weeks  
$150.00
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5mg
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3 weeks  
$162.00
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500mg
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3 weeks  
$171.00
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1g
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3 weeks  
$198.00
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5g
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10g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00006E
Chemical Name:
1-Piperazinecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, phenylmethyl ester
CAS Number:
1000018-21-2
Molecular Formula:
C17H25N3O6S
Molecular Weight:
399.4619
MDL Number:
MFCD09864831
IUPAC Name:
benzyl 4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H25N3O6S/c1-17(2,3)26-15(21)18-27(23,24)20-11-9-19(10-12-20)16(22)25-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,21)
InChI Key:
KUDXQVYDLHKECF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.146g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.462g/mol
Monoisotopic Mass:
399.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1000018-21-2 
Benzyl 4-(N-(tert-butoxycarbonyl)sulfamoyl)piperazine-1-carboxylate 
AKOS005073219 
FCH2826197 
KB-0802 
OR15476 
RP17185 
KS-0000279X 
AJ-61066 
AX8201734 
RT-024854 
TR-065115 
BENZYL 4-{[(TERT-BUTOXYCARBONYL)AMINO]-SULFONYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE 
J-519804 
benzyltertbutoxycarbonylaminosulfonyltetrahydropyrazinecarboxylate 
Benzyl 4-[(tert-butoxycarbonyl)sulfamoyl]piperazine-1-carboxylate 
benzyl 4-({[(tert-butoxy)carbonyl]amino}sulfonyl)piperazine-1-carboxylate 
benzyl 4-[(tert-butoxycarbonyl)aminosulfonyl]piperazine-1-carboxylate 
Benzyl 4-{[(tert-butoxycarbonyl)amino]sulphonyl}piperazine-1-carboxylate 
Benzyl4-(N-(tert-butoxycarbonyl)sulfamoyl)piperazine-1-carboxylate 
benzyl 4-{[(tert-butoxycarbonyl)amino]sulfonyl}tetrahydro-1(2H)-pyrazinecarboxylate 
CTK7G3473 
DTXSID30654712 
ZX-AT012636 
ANW-55178 
MFCD09864831 
ZINC12336691 
Literature
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