| CAS Number | 343569-94-8 |
| Catalog Number | AG00I6S2(AGN-PC-0WOI1Z) |
| Chemical Name | Dimethyl[(E)-2-(3-nitropyridin-2-yl)ethenyl]amine |
| IUPAC Name | (E)-N,N-dimethyl-2-(3-nitropyridin-2-yl)ethenamine |
| InChI | InChI=1S/C9H11N3O2/c1-11(2)7-5-8-9(12(13)14)4-3-6-10-8/h3-7H,1-2H3/b7-5+ |
| InChI Key | RQSUTXCBSMADJU-FNORWQNLSA-N |
| MDL Number | MFCD11054129 |
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.2025 |
| SMILES | CN(/C=C/c1ncccc1[N+](=O)[O-])C |
| Synonyms | (E)-N,N-dimethyl-2-(3-nitropyridin-2-yl)ethenamine,
N,N-DIMETHYL-2-(3-NITROPYRIDIN-2-YL)ETHENAMINE,
343569-94-8,
2-(3-nitro-2-pyridinyl)-N,N-dimethyletheneamine,
65156-92-5,
SCHEMBL1997660,
SCHEMBL1997663,
RQSUTXCBSMADJU-FNORWQNLSA-,
RQSUTXCBSMADJU-FNORWQNLSA-N,
MFCD11054129,
ZINC71257750,
AKOS026673668,
CS-0091294,
InChI=1/C9H11N3O2/c1-11(2)7-5-8-9(12(13)14)4-3-6-10-8/h3-7H,1-2H3/b7-5+,
CID10921384,
Dimethyl[(E)-2-(3-nitropyridin-2-yl)ethenyl]amine,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 193.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.206g/mol |
| Monoisotopic Mass | 193.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number