| CAS Number | 1171310-16-9 |
| Catalog Number | AG01A740(AGN-PC-0WORQ1) |
| Chemical Name | 4-[(cyclopropylamino)methyl]-N-methylbenzamide |
| IUPAC Name | 4-[(cyclopropylamino)methyl]-N-methylbenzamide |
| InChI | InChI=1S/C12H16N2O/c1-13-12(15)10-4-2-9(3-5-10)8-14-11-6-7-11/h2-5,11,14H,6-8H2,1H3,(H,13,15) |
| InChI Key | LMRIAXRUUJHEOL-UHFFFAOYSA-N |
| MDL Number | MFCD14586528 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CNC(C1=CC=C(CNC2CC2)C=C1)=O |
| Synonyms | 4-[(cyclopropylamino)methyl]-N-methylbenzamide,
1171310-16-9,
ZINC20281294,
AKOS009165141,
MCULE-1327151017,
EN300-57641,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number