| CAS Number | 131780-96-6 |
| Catalog Number | AG01BCYM(AGN-PC-02KJZO) |
| Chemical Name | (2-methyl-3-nitrophenyl)methanamine |
| IUPAC Name | (2-methyl-3-nitrophenyl)methanamine |
| InChI | InChI=1S/C8H10N2O2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5,9H2,1H3 |
| InChI Key | NRAKQVUYBPWPJN-UHFFFAOYSA-N |
| MDL Number | MFCD12186407 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])CN |
| Synonyms | (2-methyl-3-nitrophenyl)methanamine,
131780-96-6,
2-Methyl-3-nitrobenzylamine,
SCHEMBL6205360,
ZINC35648580,
AKOS009536928,
MCULE-4748685304,
NE41107,
Z1839474938,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number