| CAS Number | 1803600-44-3 |
| Catalog Number | AG01B975 |
| Chemical Name | 3-(1-Aminocyclopropyl)benzonitrile Hydrochloride |
| IUPAC Name | 3-(1-aminocyclopropyl)benzonitrile;hydrochloride |
| InChI | InChI=1S/C10H10N2.ClH/c11-7-8-2-1-3-9(6-8)10(12)4-5-10;/h1-3,6H,4-5,12H2;1H |
| InChI Key | NQSUPNUNAJCIJF-UHFFFAOYSA-N |
| MDL Number | MFCD28383788 |
| Molecular Formula | C10H11ClN2 |
| Molecular Weight | 194.6607 |
| SMILES | Cl.NC1(C2=CC(C#N)=CC=C2)CC1 |
| Synonyms | 3-(1-aminocyclopropyl)benzonitrile hydrochloride,
1803600-44-3,
EN300-203979,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.662g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number