| CAS Number | 1049678-05-8 |
| Catalog Number | AG00J3XZ |
| Chemical Name | 2-methyl-N-(4-methylbenzyl)-1-propanamine hydrochloride |
| IUPAC Name | 2-methyl-N-[(4-methylphenyl)methyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19N.ClH/c1-10(2)8-13-9-12-6-4-11(3)5-7-12;/h4-7,10,13H,8-9H2,1-3H3;1H |
| InChI Key | PAILMGKNPANSTK-UHFFFAOYSA-N |
| MDL Number | MFCD07107379 |
| Molecular Formula | C12H20ClN |
| Molecular Weight | 213.7469 |
| SMILES | N(CC(C)C)CC1=CC=C(C)C=C1.Cl |
| Synonyms | 2-Methyl-N-(4-methylbenzyl)-1-propanamine hydrochloride,
1049678-05-8,
ZX-CM017887,
MFCD07107379,
|
| Complexity | 123 |
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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