| CAS Number | 1508146-82-4 |
| Catalog Number | AG01ELLQ |
| Chemical Name | N-(4-propylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| IUPAC Name | N-(4-propylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| InChI | InChI=1S/C15H22N2/c1-2-6-13-8-10-14(11-9-13)17-15-7-4-3-5-12-16-15/h8-11H,2-7,12H2,1H3,(H,16,17) |
| InChI Key | YNOWEHFIZNJGQX-UHFFFAOYSA-N |
| MDL Number | MFCD22697954 |
| Molecular Formula | C15H22N2 |
| Molecular Weight | 230.3486 |
| SMILES | CCCC1=CC=C(NC2CCCCCN=2)C=C1 |
| Synonyms | AKOS018064151,
N-(4-PROPYLPHENYL)-3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-AMINE,
1508146-82-4,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.355g/mol |
| Monoisotopic Mass | 230.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number