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Home > Nitro Compounds > 125093-10-9
125093-10-9 | Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
CAS No: 125093-10-9 Catalog No: AG000N4J MDL No:
Product Description
Catalog Number:
AG000N4J
Chemical Name:
Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
CAS Number:
125093-10-9
Molecular Formula:
C6H12N4O2
Molecular Weight:
172.1851
IUPAC Name:
2,5-dimethyl-1,4-dinitrosopiperazine
InChI:
InChI=1S/C6H12N4O2/c1-5-3-10(8-12)6(2)4-9(5)7-11/h5-6H,3-4H2,1-2H3
InChI Key:
ZDRKXNMKZRFCCW-UHFFFAOYSA-N
SMILES:
C[C@@H]1CN(N=O)[C@H](CN1N=O)C
NSC Number:
86956
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.188g/mol
Monoisotopic Mass:
172.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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