Home Other Building Blocks PIPERAZINE-D8-N-T-BOC

PIPERAZINE-D8-N-T-BOC

CAS No.:
1126621-86-0
Catalog Number:
AG008T17
Molecular Formula:
C9H10D8N2O2
Molecular Weight:
194.3007
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Product Description
Catalog Number:
AG008T17
Chemical Name:
PIPERAZINE-D8-N-T-BOC
CAS Number:
1126621-86-0
Molecular Formula:
C9H10D8N2O2
Molecular Weight:
194.3007
MDL Number:
MFCD08705174
IUPAC Name:
tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
InChI Key:
CWXPZXBSDSIRCS-DUSUNJSHSA-N
SMILES:
C1([2H])([2H])N(C(=O)OC(C)(C)C)C([2H])([2H])C(NC1([2H])[2H])([2H])[2H]
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.187g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
8  
Molecular Weight:
194.304g/mol
Monoisotopic Mass:
194.187g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties