| CAS Number | 157022-35-0 |
| Catalog Number | AG01BGCJ |
| Chemical Name | 1-Phenylprop-2-yn-1-amine hydrochloride |
| IUPAC Name | 1-phenylprop-2-yn-1-amine;hydrochloride |
| InChI | InChI=1S/C9H9N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h1,3-7,9H,10H2;1H |
| InChI Key | LEEITMHLSCHFFT-UHFFFAOYSA-N |
| MDL Number | MFCD00600875 |
| Molecular Formula | C9H10ClN |
| Molecular Weight | 167.6354 |
| SMILES | C#CC(C1=CC=CC=C1)N.[H]Cl |
| Synonyms | 1-phenylprop-2-yn-1-amine hydrochloride,
157022-35-0,
SCHEMBL4797236,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.636g/mol |
| Monoisotopic Mass | 167.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number