| CAS Number | 104774-86-9 |
| Catalog Number | AG0091MQ(AGN-PC-03UKM4) |
| Chemical Name | 3-(3-Fluorophenyl)propan-1-amine |
| IUPAC Name | 3-(3-fluorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H12FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6,11H2 |
| InChI Key | ADUXAXYDDGXYJJ-UHFFFAOYSA-N |
| MDL Number | MFCD07374077 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | NCCCC1=CC=CC(F)=C1 |
| Synonyms | 3-(3-FLUOROPHENYL)PROPAN-1-AMINE,
104774-86-9,
3-FLUORO-BENZENEPROPANAMINE,
3-(3-fluorophenyl)propylamine,
SCHEMBL1317595,
3-(3-fluorophenyl)-propylamine,
ADUXAXYDDGXYJJ-UHFFFAOYSA-N,
3-(3-fluorophenyl)-1-propylamine,
ZINC9245905,
MFCD07374077,
SBB084412,
BENZENEPROPANAMINE, 3-FLUORO-,
AKOS000345124,
AB38688,
MCULE-4177545375,
3-(3-FLUORO-PHENYL)-PROPYLAMINE,
AJ-59430,
EN300-73764,
Y-2866,
Z1267773651,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.2g/mol |
| Monoisotopic Mass | 153.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number