| CAS Number | 911825-86-0 |
| Catalog Number | AG00IGIV(AGN-PC-0WNOAQ) |
| Chemical Name | oxepan-4-amine |
| IUPAC Name | oxepan-4-amine |
| InChI | InChI=1S/C6H13NO/c7-6-2-1-4-8-5-3-6/h6H,1-5,7H2 |
| InChI Key | JWKWKYIUVWBSCM-UHFFFAOYSA-N |
| MDL Number | MFCD01314890 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | NC1CCOCCC1 |
| Synonyms | OXEPAN-4-AMINE,
911825-86-0,
4-OXEPANAMINE,
SCHEMBL1266286,
DTXSID70598085,
AN-541,
MFCD16038648,
AKOS014316110,
AB70734,
NE35964,
BS-12976,
DB-078922,
FT-0765478,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.176g/mol |
| Monoisotopic Mass | 115.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number