| CAS Number | 851903-43-0 |
| Catalog Number | AG00IDKQ |
| Chemical Name | N-(2,3-dimethylphenyl)-2-(piperazin-1-yl)acetamide |
| IUPAC Name | N-(2,3-dimethylphenyl)-2-piperazin-1-ylacetamide |
| InChI | InChI=1S/C14H21N3O/c1-11-4-3-5-13(12(11)2)16-14(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18) |
| InChI Key | YIBWCYZYAXQOBI-UHFFFAOYSA-N |
| MDL Number | MFCD06655303 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | CC1=C(C)C(NC(CN2CCNCC2)=O)=CC=C1 |
| Synonyms | N-(2,3-dimethylphenyl)-2-(piperazin-1-yl)acetamide,
851903-43-0,
N-(2,3-dimethylphenyl)-2-piperazin-1-ylacetamide,
AC1Q2DPS,
AC1M87AR,
SCHEMBL1080002,
CTK7G7142,
MFCD06655303,
ZINC19797587,
AKOS008987549,
MCULE-4356995609,
NE36431,
EN300-12345,
Z85920179,
CID2531865,
N-(2,3-dimethylphenyl)-2-piperazin-1-yl-acetamide,
|
| Complexity | 276 |
| 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 | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number