| CAS Number | 23266-24-2 |
| Catalog Number | AG01C5PY(AGN-PC-00TPS1) |
| Chemical Name | 1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| IUPAC Name | 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| InChI | InChI=1S/C11H15N/c1-9-8-12-7-6-10-4-2-3-5-11(9)10/h2-5,9,12H,6-8H2,1H3 |
| InChI Key | ZRPYKXHZFPGPRZ-UHFFFAOYSA-N |
| MDL Number | MFCD20134020 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CC1C2=C(C=CC=C2)CCNC1 |
| Synonyms | 1-Methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine,
23266-24-2,
CHEMBL367796,
1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine,
SCHEMBL164205,
BDBM50161625,
1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-methyl-,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.248g/mol |
| Monoisotopic Mass | 161.12g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number