| CAS Number | 1215813-40-3 |
| Catalog Number | AG01AAQJ |
| Chemical Name | 2-Methyl-2-[(4-nitrophenyl)amino]propanoic acid |
| IUPAC Name | 2-methyl-2-(4-nitroanilino)propanoic acid |
| InChI | InChI=1S/C10H12N2O4/c1-10(2,9(13)14)11-7-3-5-8(6-4-7)12(15)16/h3-6,11H,1-2H3,(H,13,14) |
| InChI Key | OLVSJCXKKXRGLO-UHFFFAOYSA-N |
| MDL Number | MFCD14608333 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | CC(C(O)=O)(NC1=CC=C([N+]([O-])=O)C=C1)C |
| Synonyms | 2-methyl-2-[(4-nitrophenyl)amino]propanoic acid,
1215813-40-3,
AC1Q1NNC,
ZINC40354886,
AKOS010516873,
MCULE-7037144581,
NE54224,
BB 0241754,
EN300-69297,
2-Methyl-2-(4-nitro-phenylamino)-propionic acid,
Z1259273139,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number