| CAS Number | 405-68-5 |
| Catalog Number | AG01EJ3Z(AGN-PC-0ROCRK) |
| Chemical Name | [2-(4-fluorophenyl)ethyl](methyl)amine hydrochloride |
| IUPAC Name | 2-(4-fluorophenyl)-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-11-7-6-8-2-4-9(10)5-3-8;/h2-5,11H,6-7H2,1H3;1H |
| InChI Key | IAMHNHXYJUTVDY-UHFFFAOYSA-N |
| MDL Number | MFCD01708103 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | Cl.CNCCC1=CC=C(F)C=C1 |
| UNII | 8SET5RSQ6R |
| Synonyms | p-Fluoro-N-methylphenethylamine hydrochloride,
UNII-8SET5RSQ6R,
8SET5RSQ6R,
Phenethylamine, p-fluoro-N-methyl-, hydrochloride,
405-68-5,
N-methyl-2-(4-fluorophenyl)ethylamine hydrochloride,
AC1Q4NRY,
AC1L3QD8,
2-(4-fluorophenyl)-n-methylethanamine hydrochloride(1:1),
LS-103528,
2-(4-fluorophenyl)-N-methylethanamine hydrochloride,
C9H12FN.ClH,
C9-H12-F-N.Cl-H,
AR-1C7819,
CID120233,
428-63-7,
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| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.658g/mol |
| Monoisotopic Mass | 189.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number