Home Aminos 3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide

3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide

CAS No.:
104118-88-9
Catalog Number:
AG003IRU
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
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Product Description
Catalog Number:
AG003IRU
Chemical Name:
3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide
CAS Number:
104118-88-9
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD12405620
IUPAC Name:
(E)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
InChI:
InChI=1S/C9H11N3O3/c1-10(2)5-3-8-7-11(13)6-4-9(8)12(14)15/h3-7H,1-2H3/b5-3+
InChI Key:
FGBBTNYRURUPDI-HWKANZROSA-N
SMILES:
CN(/C=C\c1c[n+]([O-])ccc1[N+](=O)[O-])C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties