Basic information
- CAS
373377-36-7- Standard SMILES
CN(CC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1- InChIKey
VPSVAJBVJWMLRH-UHFFFAOYSA-N- Molecular formula
- C24H21NO
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 9-[3-[Benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
- IUPAC
- 9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
- English name
- 9-{3-[benzyl(methyl)amino]-1-propynyl}-9H-fluoren-9-ol
- Molecular formula
- C24H21NO
- Molecular weight
- 339.43
Names & synonyms
9-[3-[benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol373377-36-79-{3-[benzyl(methyl)amino]-1-propynyl}-9H-fluoren-9-ol9-(3-(benzyl(methyl)amino)prop-1-yn-1-yl)-9H-fluoren-9-ol9-{3-[benzyl(methyl)amino]prop-1-yn-1-yl}-9H-fluoren-9-olSMR000178013Oprea1_458023Oprea1_764449MLS000568735CHEMBL13124959-[3-(Benzyl-methyl-amino)-prop-1-ynyl]-9H-fluoren-9-olHMS2543D18
Show more names
9H-Fluoren-9-ol, 9-[3-[methyl(phenylmethyl)amino]-1-propyn-1-yl]-
STL355184AKOS000577170AP-518/42286312
Database identifiers
- CAS
373377-36-7- ChEMBL
CHEMBL1312495
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 522.7 · 522.7±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11.13 · 11.13±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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