| CAS Number | 1273564-68-3 |
| Catalog Number | AG01A1LS(AGN-PC-0WO5D9) |
| Chemical Name | 3-Methyl-1,4-oxazepane |
| IUPAC Name | 3-methyl-1,4-oxazepane |
| InChI | InChI=1S/C6H13NO/c1-6-5-8-4-2-3-7-6/h6-7H,2-5H2,1H3 |
| InChI Key | JXXVNJUPCPLXJI-UHFFFAOYSA-N |
| MDL Number | MFCD18791233 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | CC1NCCCOC1 |
| Synonyms | 3-methyl-1,4-OXAZEPANE,
1273564-68-3,
SCHEMBL15386151,
AKOS013567140,
MCULE-5522410500,
NE54946,
Z1480642161,
|
| 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 | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number