| CAS Number | 111634-94-7 |
| Catalog Number | AG01ELHQ(AGN-PC-0NXPG3) |
| Chemical Name | rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride |
| IUPAC Name | 3-amino-2,3-dihydro-1H-indene-1-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO2.ClH/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9;/h1-4,8-9H,5,11H2,(H,12,13);1H |
| InChI Key | NJWVCGBGVWEMGY-UHFFFAOYSA-N |
| MDL Number | MFCD09910168 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | Cl.N[C@H]1C2=C(C=CC=C2)[C@@H](C(O)=O)C1 |
| Synonyms | 1584712-98-0,
3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride,
Z2293604307,
Rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride,
111634-94-7,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number