≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(CCCCNC1)O |
|---|---|
| IUPAC Name | 3-methylazepan-3-ol |
| InChIKey | PCLHMPWNWSQJIK-UHFFFAOYSA-N |
| INCHI | 1S/C7H15NO/c1-7(9)4-2-3-5-8-6-7/h8-9H,2-6H2,1H3 |
| Isomeric SMILES | CC1(CCCCNC1)O |
| PubChem CID | 83681741 |
| Molecular Weight | 129.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepanes |
| Alternative Parents | Tertiary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Azepane - Tertiary alcohol - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 129.199 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 129.115 Da |
| Monoisotopic Mass | 129.115 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 94.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
