| CAS Number | 937627-48-0 |
| Catalog Number | AG01A8Q7 |
| Chemical Name | N-(3-Aminophenyl)-2-(azepan-1-yl)acetamide |
| IUPAC Name | N-(3-aminophenyl)-2-(azepan-1-yl)acetamide |
| InChI | InChI=1S/C14H21N3O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18) |
| InChI Key | ICJJXBMTHUXEEP-UHFFFAOYSA-N |
| MDL Number | MFCD09052138 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | NC1=CC(NC(CN2CCCCCC2)=O)=CC=C1 |
| Synonyms | N-(3-aminophenyl)-2-(azepan-1-yl)acetamide,
937627-48-0,
AC1Q51Q3,
CTK7G7039,
ZINC19775315,
AKOS000135574,
MCULE-4247913262,
NE26334,
EN300-62295,
N-(3-AMINOPHENYL)-2-AZEPAN-1-YLACETAMIDE,
Z234898261,
|
| Complexity | 262 |
| 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