| CAS Number | 1384429-44-0 |
| Catalog Number | AG019Z80 |
| Chemical Name | (4-Fluoro-3,5-dimethylphenyl)methanamine |
| IUPAC Name | (4-fluoro-3,5-dimethylphenyl)methanamine |
| InChI | InChI=1S/C9H12FN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,5,11H2,1-2H3 |
| InChI Key | IGAHVYZLAGKTEU-UHFFFAOYSA-N |
| MDL Number | MFCD21187163 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | CC1=C(F)C(C)=CC(CN)=C1 |
| Synonyms | (4-fluoro-3,5-dimethylphenyl)methanamine,
1384429-44-0,
3,5-Dimethyl-4-fluorobenzylamine,
ZINC74941784,
AKOS014634103,
MCULE-9920148582,
NE56251,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.2g/mol |
| Monoisotopic Mass | 153.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number