| CAS Number | 348165-76-4 |
| Catalog Number | AG00CXHW(AGN-PC-0WG3RA) |
| Chemical Name | 1H-Isoindol-1-one, 4-amino-2,3-dihydro-5-methyl- |
| IUPAC Name | 4-amino-5-methyl-2,3-dihydroisoindol-1-one |
| InChI | InChI=1S/C9H10N2O/c1-5-2-3-6-7(8(5)10)4-11-9(6)12/h2-3H,4,10H2,1H3,(H,11,12) |
| InChI Key | ALSCSXVTGZMZRG-UHFFFAOYSA-N |
| MDL Number | MFCD13177765 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | O=C1NCc2c1ccc(c2N)C |
| Synonyms | 348165-76-4,
4-Amino-2,3-dihydro-5-methyl-1H-isoindol-1-one,
4-Amino-5-methylisoindolin-1-one,
SCHEMBL3252600,
ALSCSXVTGZMZRG-UHFFFAOYSA-N,
MFCD13177765,
ZINC39136075,
CS-0038435,
4-amino-5-methyl-2,3-dihydroisoindol-1-one,
4-amino-5-methyl-2,3-dihydro-isoindol-1-one,
1H-Isoindol-1-one, 4-amino-2,3-dihydro-5-methyl-,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number