| CAS Number | 1461706-27-3 |
| Catalog Number | AG01A6BD(AGN-PC-0WOVGC) |
| Chemical Name | 1-Methyl-2,3-Dihydro-1H-Isoindole Hydrochloride |
| IUPAC Name | 1-methyl-2,3-dihydro-1H-isoindole;hydrochloride |
| InChI | InChI=1S/C9H11N.ClH/c1-7-9-5-3-2-4-8(9)6-10-7;/h2-5,7,10H,6H2,1H3;1H |
| InChI Key | UFJGGSPSJKJHKR-UHFFFAOYSA-N |
| MDL Number | MFCD25371782 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CC1C2=CC=CC=C2CN1.Cl |
| Synonyms | 1-methyl-2,3-dihydro-1H-isoindole hydrochloride,
1461706-27-3,
(1R)-1-methyl-2,3-dihydro-1H-isoindole hydrochloride,
SCHEMBL17671007,
1900707-18-7,
2031241-93-5,
AKOS026744487,
NE17177,
(1S)-1-methyl-2,3-dihydro-1H-isoindole hydrochloride,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number