| CAS Number | 17797-09-0 |
| Catalog Number | AG00AS9R |
| Chemical Name | 2-(4-Tert-butylphenyl)propan-2-amine |
| IUPAC Name | 2-(4-tert-butylphenyl)propan-2-amine |
| InChI | InChI=1S/C13H21N/c1-12(2,3)10-6-8-11(9-7-10)13(4,5)14/h6-9H,14H2,1-5H3 |
| InChI Key | LVPDSISYRXTPSS-UHFFFAOYSA-N |
| MDL Number | MFCD11581287 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CC(C1=CC=C(C(N)(C)C)C=C1)(C)C |
| Synonyms | 2-(4-tert-butylphenyl)propan-2-amine,
17797-09-0,
2-(4-(tert-Butyl)phenyl)propan-2-amine,
SCHEMBL8889645,
MFCD11581287,
ZINC19673387,
AKOS010213621,
MCULE-8070711928,
NE43599,
Z1495385221,
4-tert-butyl-a,a-dimethyl-benzenemethanamine,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.318g/mol |
| Monoisotopic Mass | 191.167g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number