Home Carboxys T-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate

T-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate

CAS No.:
159873-21-9
Catalog Number:
AG01F2PS
Molecular Formula:
C12H19N3O3
Molecular Weight:
253.2976
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$142
- +
5g
98%
1 week
United States
$406
- +
25g
98%
1 week
United States
$1163
- +
Product Description
Catalog Number:
AG01F2PS
Chemical Name:
T-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate
CAS Number:
159873-21-9
Molecular Formula:
C12H19N3O3
Molecular Weight:
253.2976
MDL Number:
MFCD20731084
IUPAC Name:
tert-butyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
InChI:
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-6-14(7-9-15)10(16)4-5-13/h4,6-9H2,1-3H3
InChI Key:
KRLYUZSRQQHVMQ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.143g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.302g/mol
Monoisotopic Mass:
253.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties