| CAS Number | 50669-77-7 |
| Catalog Number | AG01AHKT(AGN-PC-0AM4S5) |
| Chemical Name | 2-methyl-octahydro-1H-indole |
| IUPAC Name | 2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole |
| InChI | InChI=1S/C9H17N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-10H,2-6H2,1H3 |
| InChI Key | ZJHBAERTGJSGHX-UHFFFAOYSA-N |
| MDL Number | MFCD19216499 |
| Molecular Formula | C9H17N |
| Molecular Weight | 139.2380 |
| SMILES | CC1NC2C(CCCC2)C1 |
| Synonyms | 2-methyl-octahydro-1H-indole,
50669-77-7,
2-Methyloctahydro-1H-indole,
2-Methylperhydroindol,
Octahydro-2-methyl-1H-indole,
SCHEMBL5700655,
AKOS006350869,
MCULE-6269143052,
NE16459,
EN300-75050,
Z1267773572,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.242g/mol |
| Monoisotopic Mass | 139.136g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number