| CAS Number | 1049678-19-4 |
| Catalog Number | AG00J41V |
| Chemical Name | N-(4-ethylbenzyl)-2-butanamine hydrochloride |
| IUPAC Name | N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride |
| InChI | InChI=1S/C13H21N.ClH/c1-4-11(3)14-10-13-8-6-12(5-2)7-9-13;/h6-9,11,14H,4-5,10H2,1-3H3;1H |
| InChI Key | RHLMAATYQNCGAA-UHFFFAOYSA-N |
| MDL Number | MFCD07107584 |
| Molecular Formula | C13H22ClN |
| Molecular Weight | 227.7735 |
| SMILES | N(C(C)CC)CC1=CC=C(CC)C=C1.Cl |
| Synonyms | N-(4-Ethylbenzyl)-2-butanamine hydrochloride,
1049678-19-4,
ZX-CM018244,
MFCD07107584,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.776g/mol |
| Monoisotopic Mass | 227.144g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number