| CAS Number | 22513-29-7 |
| Catalog Number | AG01E7PB |
| Chemical Name | 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole hydrochloride |
| IUPAC Name | 2-prop-2-ynyl-1,3-dihydroisoindole;hydrochloride |
| InChI | InChI=1S/C11H11N.ClH/c1-2-7-12-8-10-5-3-4-6-11(10)9-12;/h1,3-6H,7-9H2;1H |
| InChI Key | RQNCPMIGZPQCGG-UHFFFAOYSA-N |
| MDL Number | MFCD30735421 |
| Molecular Formula | C11H12ClN |
| Molecular Weight | 193.6727 |
| SMILES | Cl.C#CCN1CC2=C(C=CC=C2)C1 |
| Synonyms | 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole hydrochloride,
AKOS030761064,
Z2832013921,
22513-29-7,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.674g/mol |
| Monoisotopic Mass | 193.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number