| CAS Number | 1422057-35-9 |
| Catalog Number | AG00A3ES(AGN-PC-0WCJZJ) |
| Chemical Name | 5-(Aminomethyl)isoindolin-1-one hydrochloride |
| IUPAC Name | 5-(aminomethyl)-2,3-dihydroisoindol-1-one;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-4-6-1-2-8-7(3-6)5-11-9(8)12;/h1-3H,4-5,10H2,(H,11,12);1H |
| InChI Key | VZQKBHBQOZPPRR-UHFFFAOYSA-N |
| MDL Number | MFCD23135991 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | Cl.NCC=1C=C2CNC(C2=CC1)=O |
| Synonyms | 5-(aminomethyl)isoindolin-1-one hydrochloride,
1422057-35-9,
KS-00000T8H,
MFCD23135991,
QC-165,
AK185257,
DS-10036,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number