Home Other Building Blocks 1-tert-butylpiperazine-2,5-dione

1-tert-butylpiperazine-2,5-dione

CAS No.:
1491454-34-2
Catalog Number:
AG01AM92
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
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Product Description
Catalog Number:
AG01AM92
Chemical Name:
1-tert-butylpiperazine-2,5-dione
CAS Number:
1491454-34-2
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
MDL Number:
MFCD21115160
IUPAC Name:
1-tert-butylpiperazine-2,5-dione
InChI:
InChI=1S/C8H14N2O2/c1-8(2,3)10-5-6(11)9-4-7(10)12/h4-5H2,1-3H3,(H,9,11)
InChI Key:
SUHALEBOUNOUES-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)N(C1)C(C)(C)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties