| CAS Number | 1559682-91-5 |
| Catalog Number | AG01DTBT |
| Chemical Name | 2-methyl-octahydro-1H-isoindol-5-amine |
| IUPAC Name | 2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine |
| InChI | InChI=1S/C9H18N2/c1-11-5-7-2-3-9(10)4-8(7)6-11/h7-9H,2-6,10H2,1H3 |
| InChI Key | XIBWVLMVXUPBMI-UHFFFAOYSA-N |
| MDL Number | MFCD31559605 |
| Molecular Formula | C9H18N2 |
| Molecular Weight | 154.2526 |
| SMILES | CN1CC2C(CCC(C2)N)C1 |
| Synonyms | AKOS023201717,
2-methyl-octahydro-1H-isoindol-5-amine, Mixture of diastereomers,
1559682-91-5,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.257g/mol |
| Monoisotopic Mass | 154.147g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number