| CAS Number | 1797555-17-9 |
| Catalog Number | AG01B1OG |
| Chemical Name | [2-(Aminomethyl)-3-methylbutyl]benzene hydrochloride |
| IUPAC Name | 2-benzyl-3-methylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19N.ClH/c1-10(2)12(9-13)8-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,13H2,1-2H3;1H |
| InChI Key | RHOCUQALISNYHE-UHFFFAOYSA-N |
| MDL Number | MFCD28012252 |
| Molecular Formula | C12H20ClN |
| Molecular Weight | 213.7469 |
| SMILES | Cl.CC(C(CC1=CC=CC=C1)CN)C |
| Synonyms | [2-(aminomethyl)-3-methylbutyl]benzene hydrochloride,
1797555-17-9,
MCULE-1079404810,
NE17281,
Z1809367550,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.749g/mol |
| Monoisotopic Mass | 213.128g/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