| CAS Number | 1049678-40-1 |
| Catalog Number | AG00J425 |
| Chemical Name | N-(4-ethoxybenzyl)-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(4-ethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-3-9-13-10-11-5-7-12(8-6-11)14-4-2;/h3,5-8,13H,1,4,9-10H2,2H3;1H |
| InChI Key | IACWGPZWYQIPDF-UHFFFAOYSA-N |
| MDL Number | MFCD07107854 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | C(CNCC1=CC=C(OCC)C=C1)=C.Cl |
| Synonyms | N-(4-Ethoxybenzyl)-2-propen-1-amine hydrochloride,
1049678-40-1,
ZX-CM018243,
MFCD07107854,
889949-84-2,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number