| CAS Number | 1159701-01-5 |
| Catalog Number | AG00J3YV(AGN-PC-0WRB0A) |
| Chemical Name | [(2E)-3-phenyl-2-propen-1-yl]propylamine hydrochloride |
| IUPAC Name | (E)-3-phenyl-N-propylprop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-2-10-13-11-6-9-12-7-4-3-5-8-12;/h3-9,13H,2,10-11H2,1H3;1H/b9-6+; |
| InChI Key | ZOGFGFCWCXTMHR-MLBSPLJJSA-N |
| MDL Number | MFCD07106995 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | C(/C1C=CC=CC=1)=CCNCCC.Cl |
| Synonyms | [(2E)-3-Phenyl-2-propen-1-yl]propylamine hydrochloride,
1159701-01-5,
ZX-CM017952,
MFCD07106995,
[(2E)-3-phenylprop-2-en-1-yl]propylamine hydrochloride,
869941-93-5,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number