| CAS Number | 1461705-73-6 |
| Catalog Number | AG01A6UJ(AGN-PC-0WORG0) |
| Chemical Name | 4-[(Cyclopropylamino)methyl]benzonitrile Hydrochloride |
| IUPAC Name | 4-[(cyclopropylamino)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C11H12N2.ClH/c12-7-9-1-3-10(4-2-9)8-13-11-5-6-11;/h1-4,11,13H,5-6,8H2;1H |
| InChI Key | ZKHRLKXDFMSGRH-UHFFFAOYSA-N |
| MDL Number | MFCD25970438 |
| Molecular Formula | C11H13ClN2 |
| Molecular Weight | 208.6873 |
| SMILES | Cl.N#CC1=CC=C(CNC2CC2)C=C1 |
| Synonyms | 4-[(cyclopropylamino)methyl]benzonitrile hydrochloride,
1461705-73-6,
AKOS026741728,
NE29519,
EN300-134468,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.689g/mol |
| Monoisotopic Mass | 208.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number