| CAS Number | 1333960-81-8 |
| Catalog Number | AG01APUS(AGN-PC-0WCO3D) |
| Chemical Name | 3-(4-methoxyphenyl)azepane |
| IUPAC Name | 3-(4-methoxyphenyl)azepane |
| InChI | InChI=1S/C13H19NO/c1-15-13-7-5-11(6-8-13)12-4-2-3-9-14-10-12/h5-8,12,14H,2-4,9-10H2,1H3 |
| InChI Key | LMUYBXXGHQFWSY-UHFFFAOYSA-N |
| MDL Number | MFCD21092014 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | COC1=CC=C(C2CNCCCC2)C=C1 |
| Synonyms | 3-(4-methoxyphenyl)azepane,
1333960-81-8,
F2147-1006,
SCHEMBL16874793,
AKOS015958236,
MCULE-4744961363,
L-4313,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.146664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.3g/mol |
| Monoisotopic Mass | 205.146664g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number