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1027511-69-8,MFCD08273959
Catalog No.:AA00087O
1027511-69-8 | 1-Boc-2-butyl-piperazine
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1g
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$320.00   $224.00
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Technical Information
Catalog Number:
AA00087O
Chemical Name:
1-Boc-2-butyl-piperazine
CAS Number:
1027511-69-8
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD08273959
IUPAC Name:
tert-butyl 2-butylpiperazine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-5-6-7-11-10-14-8-9-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChI Key:
YWHDUWJBVKOUGW-UHFFFAOYSA-N
SMILES:
CCCCC1CNCCN1C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
1-Boc-2-butyl-piperazine 
1027511-69-8 
MFCD08273959 
AKOS005258433 
CB-1228 
FCH1625849 
t-Butyl 2-butylpiperazine-1-carboxylate 
AB0050237 
AX8042214 
DB-002996 
CS-0001884 
FT-0711033 
tert-Butyl 2-butylpiperazine-1-carboxylate 
A-5778 
(R)-1-Boc-2-Butyl-piperazine 
(R)-tert-Butyl 2-butylpiperazine-1-carboxylate 
(S)-tert-butyl 2-butylpiperazine-1-carboxylate 
1212133-43-1 
169447-76-1 
1-Boc-2-butylpiperazine 
AK-37079 
1-N-Boc-2-butylpiperazine 
SCHEMBL5224952 
CTK6D6486 
DTXSID30609843 
1-Piperazinecarboxylic acid, 2-butyl-, 1,1-dimethylethyl ester 
Literature
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