| CAS Number | 884535-16-4 |
| Catalog Number | AG00J2BL(AGN-PC-0HAFHN) |
| Chemical Name | 4-(Hydroxymethyl)azepan-4-ol hydrochloride |
| IUPAC Name | 4-(hydroxymethyl)azepan-4-ol;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c9-6-7(10)2-1-4-8-5-3-7;/h8-10H,1-6H2;1H |
| InChI Key | JXKCNQFCMQPUBN-UHFFFAOYSA-N |
| MDL Number | MFCD26959433 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | N1CCCC(CO)(O)CC1.Cl |
| Synonyms | 884535-16-4,
4-(Hydroxymethyl)-4-azepanol hydrochloride,
4-(hydroxymethyl)azepan-4-ol hydrochloride,
SCHEMBL1880406,
JXKCNQFCMQPUBN-UHFFFAOYSA-N,
ZX-CM008949,
MFCD26959433,
AKOS027426951,
4-(hydroxymethyl)azepane-4-ol hydrochloride,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number