Basic information
- CAS
40594-09-0- Standard SMILES
CN(C)C1CCc2[nH]c3c(F)cc(F)cc3c2C1- InChIKey
FXNCRITWFOVSEP-UHFFFAOYSA-N- Molecular formula
- C14H16F2N2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12815484
Overview
RN given refers to parent cpd with unspecified isomeric designation; structure in first source
Names & identifiers
- Preferred name
- Flucindole
- IUPAC
- 6,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
- English name
- Flucindole
- Molecular formula
- C14H16F2N2
- Molecular weight
- 250.29
Names & synonyms
FLUCINDOLE40594-09-0FlucindolWin 35150Flucindolum5CYU0D0S8MWIN-35150NSC-2928266,8-difluoro-2,3,4,9-tetrahydro-N,N-dimethyl-1H-carbazole-3-amineRefChem:9216806,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amineFlucindole, (+)-
Show more names
3-(Dimethylamino)-6,8-difluoro-1,2,3,4-tetrahydro-9H-carbazole
Flucindole, (-)-UYM8M8P5MWBT65UC53TMMLS0031156453-(Dimethylamino)-6,8-difluoro-1,2,3,4-tetrahydrocarbazoleNSC 292826; Win 351501H-Carbazol-3-amine, 6,8-difluoro-2,3,4,9-tetrahydro-N,N-dimethyl-1H-Carbazol-3-amine, 6,8-difluoro-2,3,4,9-tetrahydro-N,N-dimethyl-, (+)-
Database identifiers
- CAS
40594-09-0、40594-13-6、60481-01-8- PubChem CID
- 38531
- DTXSID
DTXSID40866001- ChEMBL
CHEMBL1882682- UNII
- 5CYU0D0S8M、BT65UC53TM、UYM8M8P5MW
- Nikkaji
- J16.531J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 181 · 181-183 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 365.1 · 365.1±42.0 °C(Predicted)
- Density
- 1.25 · 1.25
- pka
- 15.25 · 15.25±0.40(Predicted)
- FDA UNII
- 5 CYU0D0S8M · 5CYU0D0S8M
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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