| CAS Number | 1156592-50-5 |
| Catalog Number | AG01A88F |
| Chemical Name | N-(4-aminophenyl)azepane-1-carboxamide |
| IUPAC Name | N-(4-aminophenyl)azepane-1-carboxamide |
| InChI | InChI=1S/C13H19N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,14H2,(H,15,17) |
| InChI Key | ILPXREVDYHLSSN-UHFFFAOYSA-N |
| MDL Number | MFCD12414521 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | NC1=CC=C(NC(N2CCCCCC2)=O)C=C1 |
| Synonyms | N-(4-aminophenyl)azepane-1-carboxamide,
1156592-50-5,
AC1Q522W,
CTK7G3253,
ZINC35407550,
AKOS009503799,
MCULE-2152493640,
NE20607,
EN300-61022,
Z1262250803,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.315g/mol |
| Monoisotopic Mass | 233.153g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number