| CAS Number | 245762-27-0 |
| Catalog Number | AG002OMR(AGN-PC-0L2UI8) |
| Chemical Name | 1H-INDOLE-3-PROPANAMINE, 5-FLUORO- |
| IUPAC Name | 3-(5-fluoro-1H-indol-3-yl)propan-1-amine |
| InChI | InChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6-7,14H,1-2,5,13H2 |
| InChI Key | JBFFCANWDYAYFN-UHFFFAOYSA-N |
| MDL Number | MFCD04966926 |
| Molecular Formula | C11H13FN2 |
| Molecular Weight | 192.2327 |
| SMILES | FC=1C=C2C(=CNC2=CC1)CCCN |
| Synonyms | 245762-27-0,
3-(5-fluoro-1H-indol-3-yl)propan-1-amine,
3-(5-FLUORO-1H-INDOL-3-YL)PROPYLAMINE,
1H-Indole-3-propanamine, 5-fluoro-,
CHEMBL1630733,
AC1N04FZ,
Oprea1_176034,
SCHEMBL3702815,
CTK4F3939,
DTXSID30398225,
JBFFCANWDYAYFN-UHFFFAOYSA-N,
ZINC2534047,
1H-Indole-3-propanamine,5-fluoro-,
BDBM50332582,
AKOS001476083,
3-(5-fluoro-1H-indol-3-yl)-propylamine,
FT-0691920,
Z2004547582,
CID3957066,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.237g/mol |
| Monoisotopic Mass | 192.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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