| CAS Number | 109859-93-0 |
| Catalog Number | AG01B9CS(AGN-PC-02KBTF) |
| Chemical Name | 2-(azepan-2-yl)ethan-1-ol hydrochloride |
| IUPAC Name | 2-(azepan-2-yl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H17NO.ClH/c10-7-5-8-4-2-1-3-6-9-8;/h8-10H,1-7H2;1H |
| InChI Key | LYXZTKFDNPBPES-UHFFFAOYSA-N |
| MDL Number | MFCD28383817 |
| Molecular Formula | C8H18ClNO |
| Molecular Weight | 179.6876 |
| SMILES | Cl.OCCC1NCCCCC1 |
| Synonyms | 2-(azepan-2-yl)ethan-1-ol hydrochloride,
109859-93-0,
SCHEMBL9739532,
LYXZTKFDNPBPES-UHFFFAOYSA-N,
2-(2-hydroxyethyl)-hexahydro-azepinehydrochloride,
Z2798559760,
|
| Complexity | 85.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.688g/mol |
| Monoisotopic Mass | 179.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number