| CAS Number | 1049678-50-3 |
| Catalog Number | AG00J42B |
| Chemical Name | N-(3-Ethoxybenzyl)-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(3-ethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-3-8-13-10-11-6-5-7-12(9-11)14-4-2;/h3,5-7,9,13H,1,4,8,10H2,2H3;1H |
| InChI Key | WDNDZLGGKPRRQZ-UHFFFAOYSA-N |
| MDL Number | MFCD07107914 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | C(CNCC1C=CC=C(OCC)C=1)=C.Cl |
| Synonyms | N-(3-Ethoxybenzyl)-2-propen-1-amine hydrochloride,
1049678-50-3,
ZX-CM018164,
MFCD07107914,
893570-43-9,
|
| Complexity | 158 |
| 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 |
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Certificate of Analysis
Lot Number