| CAS Number | 1246456-36-9 |
| Catalog Number | AG019EX5(AGN-PC-0WG3RP) |
| Chemical Name | 1,4-Oxazepine, hexahydro-2-methyl-, hydrochloride (1:1) |
| IUPAC Name | 2-methyl-1,4-oxazepane;hydrochloride |
| InChI | InChI=1S/C6H13NO.ClH/c1-6-5-7-3-2-4-8-6;/h6-7H,2-5H2,1H3;1H |
| InChI Key | GQJCJLLZNQHMCX-UHFFFAOYSA-N |
| MDL Number | MFCD23378443 |
| Molecular Formula | C6H14ClNO |
| Molecular Weight | 151.6345 |
| SMILES | CC1CNCCCO1.Cl |
| Synonyms | 2-METHYL-1,4-OXAZEPANE HYDROCHLORIDE,
1246456-36-9,
2-Methyl-1,4-oxazepane HCl,
SCHEMBL537266,
GQJCJLLZNQHMCX-UHFFFAOYSA-N,
2-methyl-1,4-oxazepanehydrochloride,
MFCD23378443,
2-methyl-[1,4]oxazepane hydrochloride,
AM806380,
CS-0038165,
2-methyl-1,4-oxazepane;hydrochloride,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.634g/mol |
| Monoisotopic Mass | 151.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number