Compound: Michler's ketone
SMILES: O=C(c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2
InChIKey: VVBLNCFGVYUYGU-UHFFFAOYSA-N
Synonyms: Michler's ketone, 90-94-8, 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE, Bis(4-(dimethylamino)phenyl)methanone, bis[4-(dimethylamino)phenyl]methanone, Michler ketone, p,p'-Michler's ketone, Tetramethyldiaminobenzophenone, NCI-C02006, p,p'-Bis(dimethylamino)benzophenone, Methanone, bis[4-(dimethylamino)phenyl]-, Benzophenone, 4,4'-bis(dimethylamino)-, NSC 9602, N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone, DTXSID2020894, p,p'-Bis(N,N-dimethylamino)benzophenone, Bis(p-(N,N-dimethylamino)phenyl)ketone, Bis(p-(N,N-dimethylamino)phenyl) ketone, AI3-22412, NSC9602, 3Z2SN6B347, NSC-9602, DTXCID80894, Methanone, bis(4-(dimethylamino)phenyl)-, Bis[p-(N,N-dimethylamino)phenyl] ketone, RefChem:818815, 4,4'-(Dimethylamino)benzophenone, P,P'BIS(N,NDIMETHYLAMINO)BENZOPHENONE, 202-027-5, DABP, Michlers ketone, 4,4-bis(dimethylamino)benzophenone, Michlers Keton, 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline, MFCD00008312, Michler's ketone, 98%, 4,4'-bis(dimethylamino)-benzophenone, 4,4'-bis(N,N-dimethylamino)benzophenone, di4-(dimethylamino)phenyl ketone, CAS-90-94-8, CCRIS 412, HSDB 2865, EINECS 202-027-5, UNII-3Z2SN6B347, Michler`s ketone, cetona de michler, Centone de Michler, bis(4-dimethylaminophenyl)methanone, Chetone di Micheler, Bis-(4-dimethylamino-phenyl)-methanone, Oprea1_244376, SCHEMBL36517, MLS000521340, CHEMBL15137, p,N-dimethylamino)benzophenone, MICHLER'S KETONE [MI], (Tetramethyldiamino)benzophenone, orb3022698, orb3139880, CHEBI:82347, 4,4'-bisdimethylaminobenzophenone, MSK3443, WLN: 1N1&R D- 2V, HMS2464F09, p,p'-Tetramethyldiaminobenzophenone, 4,4'-bis-dimethylaminobenzophenone, 4,4'-di(Dimethylamino)benzophenone, Tox21_202416, Tox21_300279, Benzophenone,4'-bis(dimethylamino)-, EBC-65152, MSK3443-100M, SBB056915, STK366752, 4,4'- bis(dimethylamino)benzophenone, (4,4'-Tetramethyldiamino)benzophenone, 4,4/'-Bis(dimethylamino)benzophenone, 4,4\'-Bis(dimethylamino)benzophenone, AKOS000118727, MSK3443-1000M, p,p' - Bis(dimethylamino)benzophenone, CCG-202851, CS-W021001, FB63042, NCGC00164065-01, NCGC00164065-02, NCGC00164065-03, NCGC00254018-01, NCGC00259965-01, SMR000131748, B0481, EU-0033215, NS00010897, ST50308462, EN300-19184, C19266, F21239, N,N',N'-Tetramethyl-4,4'-diaminobenzophenone, AE-641/00375021, F791737, Q418109, SR-01000596911, 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE [HSDB], SR-01000596911-1, F0722-8838, Z104473070, Michler's ketone, certified reference material, TraceCERT(R), 4,4'-Bis(dimethylamino)benzophenone Solution in Methanol, 100ug/mL, 4,4'-Bis(dimethylamino)benzophenone Solution in Methanol, 1000ug/mL, InChI=1/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H
Theoretical properties:
molecular_formula: C17H20N2O
molecular_weight: 268.35 g/mol
exact_mass: 268.157563266 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 20
topological_polar_surface_area: 23.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WHITE TO GREENISH LEAFLETS
color: WHITE TO GREENISH LEAFLETS
boiling_point: greater than 680 °F at 760 mmHg (decomposes) (NTP, 1992)
melting_point: 342 °F (NTP, 1992)
solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992)
flash_point: 220 °C
vapor_pressure: 0.00000107 [mmHg]
Descriptions:
pubchem: Michler's Ketone can cause cancer according to an independent committee of scientific and health experts.
chembl: MICHLER'S KETONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Michler's ketone is an organic compound with the formula of [(CH3)2NC6H4]2CO. This electron-rich derivative of benzophenone is an intermediate in the production of dyes and pigments, for example Methyl violet. It is also used as a photosensitizer. It is named after the German chemist Wilhelm Michler. Michler's ketone is positively solvatochromic.