| CAS Number | 1094641-70-9 |
| Catalog Number | AG01AYJU |
| Chemical Name | [(2,5-difluorophenyl)methyl](propyl)amine |
| IUPAC Name | N-[(2,5-difluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13F2N/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3 |
| InChI Key | ANBBRWKAUHKIGF-UHFFFAOYSA-N |
| MDL Number | MFCD11212459 |
| Molecular Formula | C10H13F2N |
| Molecular Weight | 185.2137 |
| SMILES | CCCNCC1=C(F)C=CC(F)=C1 |
| Synonyms | [(2,5-difluorophenyl)methyl](propyl)amine,
1094641-70-9,
ZINC36947856,
BBV-15953380,
EN300-165816,
|
| Complexity | 141 |
| 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 | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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