| CAS Number | 133712-56-8 |
| Catalog Number | AG00HSZ7(AGN-PC-0PK3BD) |
| Chemical Name | 3-(Dimethylamino)-1-(4-fluorophenyl)propan-1-ol |
| IUPAC Name | 3-(dimethylamino)-1-(4-fluorophenyl)propan-1-ol |
| InChI | InChI=1S/C11H16FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-6,11,14H,7-8H2,1-2H3 |
| InChI Key | HXKHYYJUHCVYMI-UHFFFAOYSA-N |
| MDL Number | MFCD16298565 |
| Molecular Formula | C11H16FNO |
| Molecular Weight | 197.2492 |
| SMILES | CN(C)CCC(O)C1=CC=C(F)C=C1 |
| Synonyms | 3-(dimethylamino)-1-(4-fluorophenyl)propan-1-ol,
133712-56-8,
3-N,N-dimethylamino-1-(4-fluorophenyl)-propan-1-ol,
SCHEMBL6829520,
MFCD16298565,
AKOS011938877,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.253g/mol |
| Monoisotopic Mass | 197.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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