| CAS Number | 1021033-54-4 |
| Catalog Number | AG009690 |
| Chemical Name | 1-(2,4-DIFLUOROPHENYL)BUTAN-1-AMINE |
| IUPAC Name | 1-(2,4-difluorophenyl)butan-1-amine |
| InChI | InChI=1S/C10H13F2N/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6,10H,2-3,13H2,1H3 |
| InChI Key | UYWOZTJRNLKMSP-UHFFFAOYSA-N |
| MDL Number | MFCD11148476 |
| Molecular Formula | C10H13F2N |
| Molecular Weight | 185.2137 |
| SMILES | CCCC(C1=C(F)C=C(F)C=C1)N |
| Synonyms | 1-(2,4-difluorophenyl)butan-1-amine,
1021033-54-4,
MFCD11148476,
AKOS000244666,
AKOS016904404,
MCULE-1894410325,
NE28552,
RP24532,
(1R)-1-(2,4-DIFLUOROPHENYL)BUTYLAMINE,
(1S)-1-(2,4-DIFLUOROPHENYL)BUTYLAMINE,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.218g/mol |
| Monoisotopic Mass | 185.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number