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Home > Nitro Compounds > 78991-52-3
78991-52-3 | Piperazine,1-(3-methylbutyl)-4-nitroso-
CAS No: 78991-52-3 Catalog No: AG0054HX MDL No:
Product Description
Catalog Number:
AG0054HX
Chemical Name:
Piperazine,1-(3-methylbutyl)-4-nitroso-
CAS Number:
78991-52-3
Molecular Formula:
C9H19N3O
Molecular Weight:
185.2667
IUPAC Name:
1-(3-methylbutyl)-4-nitrosopiperazine
InChI:
InChI=1S/C9H19N3O/c1-9(2)3-4-11-5-7-12(10-13)8-6-11/h9H,3-8H2,1-2H3
InChI Key:
SHLVYPSIGFVQMP-UHFFFAOYSA-N
SMILES:
CC(CCN1CCN(CC1)N=O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.153g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.271g/mol
Monoisotopic Mass:
185.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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