| CAS Number | 929972-66-7 |
| Catalog Number | AG019KJ4 |
| Chemical Name | N-[1-(3,4-Difluorophenyl)ethyl]-n-methylamine |
| IUPAC Name | 1-(3,4-difluorophenyl)-N-methylethanamine |
| InChI | InChI=1S/C9H11F2N/c1-6(12-2)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3 |
| InChI Key | PBKIHZXPVAIQLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09040524 |
| Molecular Formula | C9H11F2N |
| Molecular Weight | 171.1871 |
| SMILES | CNC(C1=CC(F)=C(F)C=C1)C |
| Synonyms | [1-(3,4-difluorophenyl)ethyl](methyl)amine,
929972-66-7,
N-[1-(3,4-difluorophenyl)ethyl]-N-methylamine,
AC1Q40SG,
SCHEMBL178544,
CTK6I4587,
AKOS000264246,
AKOS017283347,
NE34954,
EN300-27128,
|
| Complexity | 141 |
| 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 | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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