| CAS Number | 1049677-98-6 |
| Catalog Number | AG00J40P |
| Chemical Name | N-(4-ethoxybenzyl)-1-propanamine hydrochloride |
| IUPAC Name | N-[(4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-3-9-13-10-11-5-7-12(8-6-11)14-4-2;/h5-8,13H,3-4,9-10H2,1-2H3;1H |
| InChI Key | IZVIYVPHXRMADH-UHFFFAOYSA-N |
| MDL Number | MFCD07107010 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | C1(OCC)=CC=C(CNCCC)C=C1.Cl |
| Synonyms | N-(4-Ethoxybenzyl)-1-propanamine hydrochloride,
1049677-98-6,
ZX-CM018066,
MFCD07107010,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/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