| CAS Number | 1202-88-6 |
| Catalog Number | AG01BFPB(AGN-PC-0WOWDN) |
| Chemical Name | 4-Phenylazepan-4-ol hydrochloride |
| IUPAC Name | 4-phenylazepan-4-ol;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c14-12(7-4-9-13-10-8-12)11-5-2-1-3-6-11;/h1-3,5-6,13-14H,4,7-10H2;1H |
| InChI Key | YCFHDJKKHXLUNJ-UHFFFAOYSA-N |
| MDL Number | MFCD22123679 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | Cl.OC1(C2=CC=CC=C2)CCNCCC1 |
| Synonyms | 4-phenylazepan-4-ol hydrochloride,
1202-88-6,
1h-azepin-4-ol, hexahydro-4-phenyl-, hydrochloride,
AKOS026745122,
EN300-187879,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 1 |
| 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