| CAS Number | 2098128-87-9 |
| Catalog Number | AG01ELK1 |
| Chemical Name | 2-(azepan-4-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(azepan-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c10-8(11)6-7-2-1-4-9-5-3-7;/h7,9H,1-6H2,(H,10,11);1H |
| InChI Key | UOVHMPARHFKDGW-UHFFFAOYSA-N |
| MDL Number | MFCD30494701 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | Cl.OC(CC1CCNCCC1)=O |
| Synonyms | 2-(azepan-4-yl)acetic acid hydrochloride,
F2167-8030,
2098128-87-9,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number