| CAS Number | 118705-43-4 |
| Catalog Number | AG00J2MX(AGN-PC-0NKR9X) |
| Chemical Name | N-(2-Ethoxyethyl)-3-nitropyridin-2-amine |
| IUPAC Name | N-(2-ethoxyethyl)-3-nitropyridin-2-amine |
| InChI | InChI=1S/C9H13N3O3/c1-2-15-7-6-11-9-8(12(13)14)4-3-5-10-9/h3-5H,2,6-7H2,1H3,(H,10,11) |
| InChI Key | MAVUIPAFSAUNBZ-UHFFFAOYSA-N |
| MDL Number | MFCD12080007 |
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.2178 |
| SMILES | [N+](=O)([O-])C1=CC=CN=C1NCCOCC |
| Synonyms | N-(2-ethoxyethyl)-3-nitro-2-pyridinamine,
118705-43-4,
N-(2-Ethoxyethyl)-3-nitropyridin-2-amine,
SCHEMBL9535747,
MAVUIPAFSAUNBZ-UHFFFAOYSA-N,
MFCD12080007,
ZINC34726832,
AKOS009609369,
Y-7041,
N-(2-Ethoxyethyl)-3-nitro-2-pyridinamine, AldrichCPR,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.221g/mol |
| Monoisotopic Mass | 211.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number