| CAS Number | 1246494-22-3 |
| Catalog Number | AG01A2FM(AGN-PC-0WO9LE) |
| Chemical Name | 6-methyl-1,4-oxazepane |
| IUPAC Name | 6-methyl-1,4-oxazepane |
| InChI | InChI=1S/C6H13NO/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3 |
| InChI Key | DYHXKPISQYRSST-UHFFFAOYSA-N |
| MDL Number | MFCD18791235 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | CC1COCCNC1 |
| Synonyms | 6-methyl-1,4-oxazepane,
1246494-22-3,
SCHEMBL2602793,
AKOS013567343,
MCULE-3266198031,
NE39348,
Z1507563277,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.099714g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.17g/mol |
| Monoisotopic Mass | 115.099714g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number