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Home Carboxys 1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)acetyl]-, 1,1-dimethylethylester

1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)acetyl]-, 1,1-dimethylethylester

CAS No.:
643087-38-1
Catalog Number:
AG01DTMT
Molecular Formula:
C17H23N3O5
Molecular Weight:
349.3816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$51
- +
250mg
95%
In Stock USA
United States
$95
- +
1g
95%
In Stock USA
United States
$149
- +
Product Description
Catalog Number:
AG01DTMT
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)acetyl]-, 1,1-dimethylethylester
CAS Number:
643087-38-1
Molecular Formula:
C17H23N3O5
Molecular Weight:
349.3816
MDL Number:
MFCD31803577
IUPAC Name:
tert-butyl 4-[2-(4-nitrophenyl)acetyl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)19-10-8-18(9-11-19)15(21)12-13-4-6-14(7-5-13)20(23)24/h4-7H,8-12H2,1-3H3
InChI Key:
HKAYXRLMYDVZQM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.164g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.387g/mol
Monoisotopic Mass:
349.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties