| CAS Number | 27561-36-0 |
| Catalog Number | AG019YAQ |
| Chemical Name | 2,2-Dimethyl-1-(2-methylphenyl)propan-1-amine |
| IUPAC Name | 2,2-dimethyl-1-(2-methylphenyl)propan-1-amine |
| InChI | InChI=1S/C12H19N/c1-9-7-5-6-8-10(9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3 |
| InChI Key | LEOJYNQFZGBWMY-UHFFFAOYSA-N |
| MDL Number | MFCD12154116 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.286 |
| SMILES | CC1=C(C(C(C)(C)C)N)C=CC=C1 |
| Synonyms | 2,2-dimethyl-1-(2-methylphenyl)propan-1-amine,
27561-36-0,
SCHEMBL20721286,
AKOS010038806,
MCULE-9389565742,
NE25891,
2,2-dimethyl-1-o-tolylpropan-1-amine,
Z1359429538,
1237025-67-0,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.291g/mol |
| Monoisotopic Mass | 177.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number