| CAS Number | 105219-40-7 |
| Catalog Number | AG009SVR(AGN-PC-00092I) |
| Chemical Name | 3-(3,5-difluorophenyl)propan-1-amine |
| IUPAC Name | 3-(3,5-difluorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H11F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2 |
| InChI Key | RZUIWLNDDJBKKL-UHFFFAOYSA-N |
| MDL Number | MFCD07374096 |
| Molecular Formula | C9H11F2N |
| Molecular Weight | 171.1871 |
| SMILES | NCCCC1=CC(F)=CC(F)=C1 |
| Synonyms | 105219-40-7,
3-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE,
3,5-DIFLUORO-BENZENEPROPANAMINE,
3-(3,5-difluorophenyl)-1-propylamine,
3-(3,5-DIFLUORO-PHENYL)-PROPYLAMINE,
SCHEMBL6194231,
RZUIWLNDDJBKKL-UHFFFAOYSA-N,
3-(3,5-Difluorophenyl)propylamine,
ZINC34214326,
AKOS006284349,
AB38735,
NE52802,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.191g/mol |
| Monoisotopic Mass | 171.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number