Home Nitriles 4-(4-BOC-Piperazino)benzonitrile

4-(4-BOC-Piperazino)benzonitrile

CAS No.:
186650-98-6
Catalog Number:
AG003E1L
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
98%
In Stock USA
United States
$63
- +
10g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$225
- +
100g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG003E1L
Chemical Name:
4-(4-BOC-Piperazino)benzonitrile
CAS Number:
186650-98-6
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
MDL Number:
MFCD03791198
IUPAC Name:
tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3
InChI Key:
WIBWVYVIBJOVIW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties