| CAS Number | 676495-73-1 |
| Catalog Number | AG018GWB(AGN-PC-0WBQ7W) |
| Chemical Name | 3-Phenylazepane |
| IUPAC Name | 3-phenylazepane |
| InChI | InChI=1S/C12H17N/c1-2-6-11(7-3-1)12-8-4-5-9-13-10-12/h1-3,6-7,12-13H,4-5,8-10H2 |
| InChI Key | LLRVWGRIEDLUHM-UHFFFAOYSA-N |
| MDL Number | MFCD20690446 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | C1CNCC(C2=CC=CC=C2)CC1 |
| Synonyms | 3-phenylazepane,
676495-73-1,
F2147-1002,
3-phenyl-azapane,
SCHEMBL3701789,
LLRVWGRIEDLUHM-UHFFFAOYSA-N,
MFCD20690446,
AKOS015958214,
MCULE-4053730056,
L-4300,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number