| CAS Number | 937633-52-8 |
| Catalog Number | AG019US8 |
| Chemical Name | N-(4-aminophenyl)-2-(azepan-1-yl)acetamide |
| IUPAC Name | N-(4-aminophenyl)-2-(azepan-1-yl)acetamide |
| InChI | InChI=1S/C14H21N3O/c15-12-5-7-13(8-6-12)16-14(18)11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-11,15H2,(H,16,18) |
| InChI Key | XRTWYRGWBPNOAM-UHFFFAOYSA-N |
| MDL Number | MFCD09051312 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | NC1=CC=C(NC(CN2CCCCCC2)=O)C=C1 |
| Synonyms | N-(4-aminophenyl)-2-(azepan-1-yl)acetamide,
937633-52-8,
AC1Q522T,
CTK7G5758,
ZINC22152489,
AKOS000134765,
MCULE-9192829061,
NE31982,
EN300-42669,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.342g/mol |
| Monoisotopic Mass | 247.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number