| CAS Number | 26820-66-6 |
| Catalog Number | AG00I52J(AGN-PC-01KYL9) |
| Chemical Name | 3-nitro-N-propylpyridin-2-amine |
| IUPAC Name | 3-nitro-N-propylpyridin-2-amine |
| InChI | InChI=1S/C8H11N3O2/c1-2-5-9-8-7(11(12)13)4-3-6-10-8/h3-4,6H,2,5H2,1H3,(H,9,10) |
| InChI Key | VMPHHWCBMJIVOQ-UHFFFAOYSA-N |
| MDL Number | MFCD08692147 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | [N+](=O)([O-])C1=CC=CN=C1NCCC |
| Synonyms | 3-nitro-N-propylpyridin-2-amine,
26820-66-6,
3-nitro-N-propyl-2-pyridinamine,
2-Pyridinamine, 3-nitro-N-propyl-,
MFCD08692147,
SCHEMBL14099477,
ZINC20021040,
AKOS001878217,
DB-010130,
Y-4639,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.195g/mol |
| Monoisotopic Mass | 181.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number