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Home > Nitro Compounds > 13010-07-6
13010-07-6 | Guanidine, N'-nitro-N-nitroso-N-propyl-
CAS No: 13010-07-6 Catalog No: AG000TZZ MDL No:
Product Description
Catalog Number:
AG000TZZ
Chemical Name:
Guanidine, N'-nitro-N-nitroso-N-propyl-
CAS Number:
13010-07-6
Molecular Formula:
C4H9N5O3
Molecular Weight:
175.1460
IUPAC Name:
3-nitro-1-nitroso-1-propylguanidine
InChI:
InChI=1S/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)
InChI Key:
PVVCHFOAZOVDRK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC(=N)N(N=O)CCC
EC Number:
235-856-6
UNII:
1IV3LJW4DY
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.148g/mol
Monoisotopic Mass:
175.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| The structure of DNA dictates purine atom site selectivity in alkylation by primary diazonium ions. | Chemical research in toxicology 20050901 |
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