| CAS Number | 1019619-01-2 |
| Catalog Number | AG019LUC |
| Chemical Name | butyl[(2,4-difluorophenyl)methyl]amine |
| IUPAC Name | N-[(2,4-difluorophenyl)methyl]butan-1-amine |
| InChI | InChI=1S/C11H15F2N/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3 |
| InChI Key | LZTNOHUQFIXMEI-UHFFFAOYSA-N |
| MDL Number | MFCD11142429 |
| Molecular Formula | C11H15F2N |
| Molecular Weight | 199.2403 |
| SMILES | CCCCNCC1=C(F)C=C(F)C=C1 |
| Synonyms | BUTYL[(2,4-DIFLUOROPHENYL)METHYL]AMINE,
1019619-01-2,
SCHEMBL13975424,
ZINC19906913,
AKOS000234964,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.245g/mol |
| Monoisotopic Mass | 199.117g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number