| CAS Number | 1018614-41-9 |
| Catalog Number | AG008VA6(AGN-PC-0WB5VO) |
| Chemical Name | 2-Methyl-1,4-oxazepane |
| IUPAC Name | 2-methyl-1,4-oxazepane |
| InChI | InChI=1S/C6H13NO/c1-6-5-7-3-2-4-8-6/h6-7H,2-5H2,1H3 |
| InChI Key | HQKJQSCCAMQSPY-UHFFFAOYSA-N |
| MDL Number | MFCD10035564 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | N1CC(C)OCCC1 |
| Synonyms | 2-methyl-1,4-oxazepane,
1018614-41-9,
AC1Q2RGD,
SCHEMBL2602810,
2-methyl-1,4-oxazepane(SALTDATA,
ALBB-026617,
MFCD10035564,
1,4-oxazepine, hexahydro-2-methyl-,
2-Methyl-1,4-oxazepane, AldrichCPR,
AKOS008132197,
MCULE-8246520743,
AB0218776,
EN300-66149,
Y-6310,
F2148-0118,
|
| 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