| CAS Number | 1519603-53-2 |
| Catalog Number | AG01BBOC |
| Chemical Name | 2,2-Dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| IUPAC Name | 2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine |
| InChI | InChI=1S/C11H15NO/c1-11(2)8-12-7-9-5-3-4-6-10(9)13-11/h3-6,12H,7-8H2,1-2H3 |
| InChI Key | IAWAJAWAYZMKNF-UHFFFAOYSA-N |
| MDL Number | MFCD26673252 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | CC1(OC2=C(C=CC=C2)CNC1)C |
| Synonyms | 2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine,
1519603-53-2,
SCHEMBL18322185,
ZINC83272672,
AKOS022969281,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number