| CAS Number | 766491-67-2 |
| Catalog Number | AG01A2NF |
| Chemical Name | 3-Amino-2-(methylamino)benzoic acid |
| IUPAC Name | 3-amino-2-(methylamino)benzoic acid |
| InChI | InChI=1S/C8H10N2O2/c1-10-7-5(8(11)12)3-2-4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12) |
| InChI Key | NZEMZRWEMOHJGX-UHFFFAOYSA-N |
| MDL Number | MFCD20644439 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CNC1=C(C(O)=O)C=CC=C1N |
| Synonyms | 3-amino-2-(methylamino)benzoic acid,
3-amino-2-methylamino-benzoic acid,
766491-67-2,
SCHEMBL306292,
NZEMZRWEMOHJGX-UHFFFAOYSA-N,
ZINC113533640,
F2163-0218,
|
| Complexity | 172 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number