| CAS Number | 1183013-91-3 |
| Catalog Number | AG01AZNL |
| Chemical Name | tert-butyl[(3-fluoro-4-methylphenyl)methyl]amine |
| IUPAC Name | N-[(3-fluoro-4-methylphenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C12H18FN/c1-9-5-6-10(7-11(9)13)8-14-12(2,3)4/h5-7,14H,8H2,1-4H3 |
| InChI Key | JPWZBKOYAQLVRG-UHFFFAOYSA-N |
| MDL Number | MFCD12774222 |
| Molecular Formula | C12H18FN |
| Molecular Weight | 195.2764 |
| SMILES | CC1=C(F)C=C(CNC(C)(C)C)C=C1 |
| Synonyms | tert-butyl[(3-fluoro-4-methylphenyl)methyl]amine,
1183013-91-3,
ZINC37927170,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.281g/mol |
| Monoisotopic Mass | 195.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number