| CAS Number | 781676-62-8 |
| Catalog Number | AG00ICXA(AGN-PC-0WOJAK) |
| Chemical Name | Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride |
| IUPAC Name | methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C10H17NO2.ClH/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/m0./s1 |
| InChI Key | AJVPKXUASPJHGJ-YWUTZLAHSA-N |
| MDL Number | MFCD09833397 |
| Molecular Formula | C10H18ClNO2 |
| Molecular Weight | 219.7084 |
| SMILES | Cl.COC([C@H]1N[C@@H]2[C@@H](CCCC2)C1)=O |
| Synonyms | Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride,
781676-62-8,
SCHEMBL5746479,
CM-036,
Methyl L-octahydroindole-2-carboxylate hydrochloride,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.709g/mol |
| Monoisotopic Mass | 219.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number