| CAS Number | 1229622-03-0 |
| Catalog Number | AG000JUD(AGN-PC-0WNVWQ) |
| Chemical Name | 1H-3-Benzazepin-1-ol, 2,3,4,5-tetrahydro-7-methoxy- |
| IUPAC Name | 8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol |
| InChI | InChI=1S/C11H15NO2/c1-14-9-2-3-10-8(6-9)4-5-12-7-11(10)13/h2-3,6,11-13H,4-5,7H2,1H3 |
| InChI Key | CJQZSNACIZWXEQ-UHFFFAOYSA-N |
| MDL Number | MFCD20669249 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | COC1=CC2=C(C(CNCC2)O)C=C1 |
| Synonyms | 7-methoxy-2,3,4,5-tetrahydro-1h-3-benzazepin-1-ol,
1229622-03-0,
SCHEMBL3394940,
MFCD20669249,
1H-3-Benzazepin-1-ol, 2,3,4,5-tetrahydro-7-methoxy-,
7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ol,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number