Basic information
- CAS
634-19-5- Standard SMILES
O=C1C2=C(CCCC2)c2ccccc21- InChIKey
PWTXAEYNCISTMB-UHFFFAOYSA-N- Molecular formula
- C13H12O
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.088815
Names & identifiers
- Preferred name
- Phentydrone
- IUPAC
- 1,2,3,4-tetrahydrofluoren-9-one
- English name
- THF
- Molecular formula
- C13H12O
- Molecular weight
- 184.23
Names & synonyms
Phentydrone1,2,3,4-Tetrahydro-9-fluorenoneUNII-GF6SPR73DWGF6SPR73DW634-19-5BRN 2615049PHENTYDRONE [MI]9H-FLUOREN-9-ONE, 1,2,3,4-TETRAHYDRO-DTXSID802128064-07-00-01302 (Beilstein Handbook Reference)RefChem:172926DTXCID70135297
Show more names
1.2.3.4.-tetrahydro-9-fluorenone1,2,3,4-Tetrahydro-9H-fluoren-9-oneCHEMBL25141SCHEMBL875187PWTXAEYNCISTMB-UHFFFAOYSA-N1,2,3,4-Tetrahydro-9-fluorenonQ27279078
Database identifiers
- CAS
634-19-5- PubChem CID
- 12461
- DTXSID
DTXSID80212806- ChEMBL
CHEMBL25141- UNII
- GF6SPR73DW
- Nikkaji
- J5.702I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 81 · 81-82° (Beyerman); mp 41.5-42.5° (House)
- Boiling point
- 0.05 · bp0.05 139-140°
- Density
- 1.012 · 1.0120 (rough estimate)
- refractive index
- 1.5928 · 1.5928 (estimate)
- FDA UNII
- 6 SPR73DW · GF6SPR73DW
- Toxicity
- 50 s.c · LD50 s.c. in mice: 1-1.3 g/kg (Beyerman, Veer)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 s.c. in mice: 1-1.3 g/kg (Beyerman, Veer)
Related reactions
2 records
Compound notes
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