| CAS Number | 408365-67-3 |
| Catalog Number | AG019RZB |
| Chemical Name | 4-nitro-N-[(pyridin-2-yl)methyl]aniline |
| IUPAC Name | 4-nitro-N-(pyridin-2-ylmethyl)aniline |
| InChI | InChI=1S/C12H11N3O2/c16-15(17)12-6-4-10(5-7-12)14-9-11-3-1-2-8-13-11/h1-8,14H,9H2 |
| InChI Key | DOXSTQPPQQKJNG-UHFFFAOYSA-N |
| MDL Number | MFCD11123226 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | [O-][N+](C1=CC=C(NCC2=NC=CC=C2)C=C1)=O |
| Synonyms | 4-nitro-N-(pyridin-2-ylmethyl)aniline,
408365-67-3,
2-Pyridinemethanamine, N-(4-nitrophenyl)-,
SCHEMBL3708321,
DOXSTQPPQQKJNG-UHFFFAOYSA-N,
ZINC21518120,
AKOS005859484,
MCULE-2652900403,
NE14934,
4-nitro-N-[(pyridin-2-yl)methyl]aniline,
EN300-91190,
Z31216007,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number