| CAS Number | 1881329-95-8 |
| Catalog Number | AG00I2KD(AGN-PC-0WR8MH) |
| Chemical Name | 2-(Cyclopentylamino)methyl-5-fluorophenol |
| IUPAC Name | 2-[(cyclopentylamino)methyl]-5-fluorophenol |
| InChI | InChI=1S/C12H16FNO/c13-10-6-5-9(12(15)7-10)8-14-11-3-1-2-4-11/h5-7,11,14-15H,1-4,8H2 |
| InChI Key | VKTBOMMKBUDZOW-UHFFFAOYSA-N |
| MDL Number | MFCD29044598 |
| Molecular Formula | C12H16FNO |
| Molecular Weight | 209.2599 |
| SMILES | Fc1ccc(c(c1)O)CNC1CCCC1 |
| Synonyms | 2-(Cyclopentylamino)methyl-5-fluorophenol,
1881329-95-8,
ZINC258202863,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.264g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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