| CAS Number | 1803586-64-2 |
| Catalog Number | AG01BCOV |
| Chemical Name | 1-(2,4,6-TRIMETHYLPHENYL)ETHAN-1-AMINE HYDROCHLORIDE |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-7-5-8(2)11(10(4)12)9(3)6-7;/h5-6,10H,12H2,1-4H3;1H |
| InChI Key | VFBGENMGPYITQS-UHFFFAOYSA-N |
| MDL Number | MFCD27980981 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | CC(C1=C(C)C=C(C)C=C1C)N.[H]Cl |
| Synonyms | 1803586-64-2,
1-(2,4,6-trimethylphenyl)ethan-1-amine hydrochloride,
1-MESITYLETHAN-1-AMINE HCL,
1-Mesitylethan-1-amine hydrochloride,
MFCD27980981,
(S)-1-MESITYLETHAN-1-AMINE HCL,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.722g/mol |
| Monoisotopic Mass | 199.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number