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Home > Nitro Compounds > 75881-17-3
75881-17-3 | Ethanone,1-(2,6-dimethyl-4-nitroso-1-piperazinyl)-
CAS No: 75881-17-3 Catalog No: AG005TOT MDL No:
Product Description
Catalog Number:
AG005TOT
Chemical Name:
Ethanone,1-(2,6-dimethyl-4-nitroso-1-piperazinyl)-
CAS Number:
75881-17-3
Molecular Formula:
C8H15N3O2
Molecular Weight:
185.2236
IUPAC Name:
1-(2,6-dimethyl-4-nitrosopiperazin-1-yl)ethanone
InChI:
InChI=1S/C8H15N3O2/c1-6-4-10(9-13)5-7(2)11(6)8(3)12/h6-7H,4-5H2,1-3H3
InChI Key:
VRSAQOMEXLWLBL-UHFFFAOYSA-N
SMILES:
O=NN1CC(C)N(C(C1)C)C(=O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.227g/mol
Monoisotopic Mass:
185.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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