| CAS Number | 1803612-10-3 |
| Catalog Number | AG01BA1X |
| Chemical Name | 7-Methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride |
| IUPAC Name | 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride |
| InChI | InChI=1S/C10H13NO.ClH/c1-8-2-3-10-9(6-8)7-11-4-5-12-10;/h2-3,6,11H,4-5,7H2,1H3;1H |
| InChI Key | GGOWTFFZMXVNCQ-UHFFFAOYSA-N |
| MDL Number | MFCD28397481 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | Cl.CC1=CC2=C(OCCNC2)C=C1 |
| Synonyms | 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride,
1803612-10-3,
Z2044769563,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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