| CAS Number | 1956331-04-6 |
| Catalog Number | AG00I3FW(AGN-PC-0WCYQD) |
| Chemical Name | 4-Methylisoindoline hydrochloride |
| IUPAC Name | 4-methyl-2,3-dihydro-1H-isoindole;hydrochloride |
| InChI | InChI=1S/C9H11N.ClH/c1-7-3-2-4-8-5-10-6-9(7)8;/h2-4,10H,5-6H2,1H3;1H |
| InChI Key | KSXJUNKJSNDKCE-UHFFFAOYSA-N |
| MDL Number | MFCD27978510 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CC1=CC=CC2=C1CNC2.[H]Cl |
| Synonyms | 4-Methylisoindoline hydrochloride,
1956331-04-6,
4-Methylisoindoline HCl,
MFCD27978510,
DS-12475,
AX8274168,
739365-30-1,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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