Home Carboxys 4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester

4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
130636-61-2
Catalog Number:
AG000UQL
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$48
- +
5g
98%
In Stock USA
United States
$169
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG000UQL
Chemical Name:
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
130636-61-2
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
MDL Number:
MFCD03407491
IUPAC Name:
tert-butyl 4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-10-8-17(9-11-18)12-13-4-6-14(7-5-13)19(21)22/h4-7H,8-12H2,1-3H3
InChI Key:
XWWBHMXIEAVTGS-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties