| CAS Number | 19168-71-9 |
| Catalog Number | AG00AVYF(AGN-PC-0WB49Q) |
| Chemical Name | 2-azepanylmethanol |
| IUPAC Name | azepan-2-ylmethanol |
| InChI | InChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2 |
| InChI Key | SAHMJQZPPPFESV-UHFFFAOYSA-N |
| MDL Number | MFCD00457605 |
| Molecular Formula | C7H15NO |
| Molecular Weight | 129.2001 |
| SMILES | N1CCCCCC1CO |
| Synonyms | azepan-2-ylmethanol,
2-azepanylmethanol,
19168-71-9,
SDCCGMLS-0064726.P001,
AC1ME6HB,
Oprea1_311144,
2-azepanylmethanol(SALTDATA,
2-hydroxymethylhexahydroazepine,
SCHEMBL5482526,
HMS1581H08,
MFCD00457605,
AKOS013410816,
MCULE-1586506984,
W-6994,
(S)-azepan-2-ylmethanol,
CID2849412,
2-hydroxymethyl-tetrahydro-1H-azepinone,
1314999-26-2,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.203g/mol |
| Monoisotopic Mass | 129.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number