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Home > Nitro Compounds > 16339-07-4
16339-07-4 | Piperazine, 1-methyl-4-nitroso-
CAS No: 16339-07-4 Catalog No: AG001U2B MDL No:
Product Description
Catalog Number:
AG001U2B
Chemical Name:
Piperazine, 1-methyl-4-nitroso-
CAS Number:
16339-07-4
Molecular Formula:
C5H11N3O
Molecular Weight:
129.1603
IUPAC Name:
1-methyl-4-nitrosopiperazine
InChI:
InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3
InChI Key:
CEAIOKFZXJMDAS-UHFFFAOYSA-N
SMILES:
O=NN1CCN(CC1)C
EC Number:
240-409-3
UNII:
5584MPJ7F2
NSC Number:
523886
Properties
Complexity:
98.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.09g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.163g/mol
Monoisotopic Mass:
129.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| A Case of Olfactory Neuroblastoma Induced in A Rat by N-Nitrosobis(2-hydroxypropyl)amine. | Journal of toxicologic pathology 20100601 |
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