| CAS Number | 1240526-51-5 |
| Catalog Number | AG01A9N0 |
| Chemical Name | 2-Methyl-1-(4-propylphenyl)propan-1-amine hydrochloride |
| IUPAC Name | 2-methyl-1-(4-propylphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C13H21N.ClH/c1-4-5-11-6-8-12(9-7-11)13(14)10(2)3;/h6-10,13H,4-5,14H2,1-3H3;1H |
| InChI Key | TWWMIXSBUYEUIC-UHFFFAOYSA-N |
| MDL Number | MFCD16622153 |
| Molecular Formula | C13H22ClN |
| Molecular Weight | 227.7735 |
| SMILES | Cl.CCCC1=CC=C(C(C(C)C)N)C=C1 |
| Synonyms | 2-methyl-1-(4-propylphenyl)propan-1-amine hydrochloride,
1240526-51-5,
AC1Q39OU,
NE40796,
EN300-65570,
|
| Complexity | 145 |
| 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 | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number