| CAS Number | 1346600-87-0 |
| Catalog Number | AG01A55C(AGN-PC-0WOY2A) |
| Chemical Name | 2-Isopropylazepane hydrochloride |
| IUPAC Name | 2-propan-2-ylazepane;hydrochloride |
| InChI | InChI=1S/C9H19N.ClH/c1-8(2)9-6-4-3-5-7-10-9;/h8-10H,3-7H2,1-2H3;1H |
| InChI Key | CYQVQIHIZVSNES-UHFFFAOYSA-N |
| MDL Number | MFCD24369238 |
| Molecular Formula | C9H20ClN |
| Molecular Weight | 177.7148 |
| SMILES | Cl.CC(C1NCCCCC1)C |
| Synonyms | 2-(propan-2-yl)azepane hydrochloride,
2-Isopropylazepane hydrochloride,
1346600-87-0,
Hexahydro-2-isopropyl-1H-azepine Hydrochloride,
AKOS027447037,
NE44087,
Hexahydro-2-(1-methylethyl)-1H-azepine Hydrochloride,
|
| Complexity | 88.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.716g/mol |
| Monoisotopic Mass | 177.128g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number