| CAS Number | 181114-66-9 |
| Catalog Number | AG01A7SA |
| Chemical Name | N-benzyl-N-methyl-5-nitropyridin-2-amine |
| IUPAC Name | N-benzyl-N-methyl-5-nitropyridin-2-amine |
| InChI | InChI=1S/C13H13N3O2/c1-15(10-11-5-3-2-4-6-11)13-8-7-12(9-14-13)16(17)18/h2-9H,10H2,1H3 |
| InChI Key | UDCCELHBERLWLW-UHFFFAOYSA-N |
| MDL Number | MFCD05693829 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | CN(C1=NC=C([N+]([O-])=O)C=C1)CC1=CC=CC=C1 |
| Synonyms | N-benzyl-N-methyl-5-nitropyridin-2-amine,
181114-66-9,
AC1MXV3B,
AC1Q3XDW,
SCHEMBL3199113,
CTK6H9796,
ZINC19645541,
AKOS016437917,
MCULE-7920671919,
NE13072,
EN300-59662,
Z86229155,
CID3821838,
N-benzyl-N-methyl-5-nitro-pyridin-2-amine,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.266g/mol |
| Monoisotopic Mass | 243.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number