Home Nitriles 3-(4-BOC-Piperazinocarbonyl)benzonitrile

3-(4-BOC-Piperazinocarbonyl)benzonitrile

CAS No.:
1187890-40-9
Catalog Number:
AG00HEQH
Molecular Formula:
C17H21N3O3
Molecular Weight:
315.3669
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$275
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00HEQH
Chemical Name:
3-(4-BOC-Piperazinocarbonyl)benzonitrile
CAS Number:
1187890-40-9
Molecular Formula:
C17H21N3O3
Molecular Weight:
315.3669
MDL Number:
MFCD17872843
IUPAC Name:
tert-butyl 4-(3-cyanobenzoyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-9-7-19(8-10-20)15(21)14-6-4-5-13(11-14)12-18/h4-6,11H,7-10H2,1-3H3
InChI Key:
JBOLPJWZEGJXBB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.373g/mol
Monoisotopic Mass:
315.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties