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886766-85-4,MFCD08685962
Catalog No.:AA01B8M0
886766-85-4 | tert-butyl 3-(4-ethylphenyl)piperazine-1-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$290.00
- +
500mg
95.0%
3 weeks  
$516.00
- +
1g
95.0%
3 weeks  
$652.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01B8M0
Chemical Name:
tert-butyl 3-(4-ethylphenyl)piperazine-1-carboxylate
CAS Number:
886766-85-4
Molecular Formula:
C17H26N2O2
Molecular Weight:
290.4005
MDL Number:
MFCD08685962
IUPAC Name:
tert-butyl 3-(4-ethylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H26N2O2/c1-5-13-6-8-14(9-7-13)15-12-19(11-10-18-15)16(20)21-17(2,3)4/h6-9,15,18H,5,10-12H2,1-4H3
InChI Key:
IJALJBZDWHRZPL-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C1NCCN(C1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.199g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.407g/mol
Monoisotopic Mass:
290.199g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
886766-85-4 
TERT-BUTYL 3-(4-ETHYLPHENYL)PIPERAZINE-1-CARBOXYLATE 
AKOS022177588 
AB46211 
1-BOC-3-(4-ETHYLPHENYL)PIPERAZINE 
Z1998636764 
3-(4-ETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 
Literature
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