| CAS Number | 103858-43-1 |
| Catalog Number | AG01B53Z(AGN-PC-0D8T0O) |
| Chemical Name | 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol |
| IUPAC Name | 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol |
| InChI | InChI=1S/C11H15NO/c12-9-6-5-8-3-1-2-4-11(13)10(8)7-9/h5-7,11,13H,1-4,12H2 |
| InChI Key | XWGAFZBOKDWNEG-UHFFFAOYSA-N |
| MDL Number | MFCD20694319 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | NC1=CC2=C(CCCCC2O)C=C1 |
| Synonyms | 103858-43-1,
3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol,
3-amino-5-hydroxy-6,7,8,9-tetrahydro-benzocycloheptane,
SCHEMBL6190630,
AKOS033934083,
Z2513333903,
|
| Complexity | 172 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number