Michler's ketone
PubChem CID: 7031
Connections displayed (default: 10).
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| Compound 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, Michlers ketone, Tetramethyldiaminobenzophenone, NCI-C02006, Methanone, bis[4-(dimethylamino)phenyl]-, p,p'-Bis(dimethylamino)benzophenone, Benzophenone, 4,4'-bis(dimethylamino)-, NSC 9602, CCRIS 412, Michlers Keton, HSDB 2865, p,p'-Bis(N,N-dimethylamino)benzophenone, N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone, 4,4-bis(dimethylamino)benzophenone, EINECS 202-027-5, MFCD00008312, Bis(p-(N,N-dimethylamino)phenyl)ketone, 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline, Bis(p-(N,N-dimethylamino)phenyl) ketone, DTXSID2020894, AI3-22412, NSC9602, 3Z2SN6B347, NSC-9602, Michler's ketone, 98%, 4,4'-bis(N,N-dimethylamino)benzophenone, Bis[p-(N,N-dimethylamino)phenyl] ketone, DTXCID80894, Methanone, bis(4-(dimethylamino)phenyl)-, MICHLER'S KETONE [MI], CHEBI:82347, p,p'-Tetramethyldiaminobenzophenone, 4,4'-bis(dimethylamino)-benzophenone, 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE [HSDB], CAS-90-94-8, UNII-3Z2SN6B347, di-p-dimethylaminophenyl ketone, cetona de michler, Centone de Michler, bis(4-dimethylaminophenyl)methanone, 4,4'-tetramethyldiaminobenzophenone, Chetone di Micheler, Bis-(4-dimethylamino-phenyl)-methanone, p,p'Michler's ketone, NISSO CURE MABP, Oprea1_244376, SCHEMBL36517, MLS000521340, CHEMBL15137, p,N-dimethylamino)benzophenone, (Tetramethyldiamino)benzophenone, 4,4'-Bis(dimethylamino)benzophenone (Michler's ketone), 4,4'-bisdimethylaminobenzophenone, bis(4-dimethylaminophenyl) ketone, 4,4'-(Dimethylamino)benzophenone, WLN: 1N1&R D- 2V, HMS2464F09, p,p'Bis(dimethylamino)benzophenone, 4,4'-bis-dimethylaminobenzophenone, 4,4'bis(dimethylamino)benzophenone, 4,4'-di(Dimethylamino)benzophenone, Bis(4(dimethylamino)phenyl)methanone, Tox21_202416, Tox21_300279, Benzophenone,4'-bis(dimethylamino)-, Bis(p(N,Ndimethylamino)phenyl)ketone, STK366752, 4,4'- bis(dimethylamino)benzophenone, (4,4'-Tetramethyldiamino)benzophenone, 4,4/'-Bis(dimethylamino)benzophenone, 4,4\'-Bis(dimethylamino)benzophenone, AKOS000118727, Benzophenone, 4,4'bis(dimethylamino), Bis(p(N,Ndimethylamino)phenyl) ketone, DI(P-DIMETHYLAMINO)BENZOPHENONE, p,p' - Bis(dimethylamino)benzophenone, CCG-202851, CS-W021001, FB63042, Methanone, bis(4(dimethylamino)phenyl), NCGC00164065-01, NCGC00164065-02, NCGC00164065-03, NCGC00254018-01, NCGC00259965-01, SMR000131748, B0481, EU-0033215, NS00010897, P,P'BIS(N,NDIMETHYLAMINO)BENZOPHENONE, S 112, EN300-19184, N,N,N',N'Tetramethyl4,4'diaminobenzophenone, C19266, F21239, N,N',N'-Tetramethyl-4,4'-diaminobenzophenone, AE-641/00375021, Q418109, SR-01000596911, SR-01000596911-1, F0722-8838, Z104473070, Michler's ketone, certified reference material, TraceCERT(R), Michler's Ketone, N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone, 202-027-5, 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 |
|---|---|
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, P00352, P97697, P15428, P04062, O75164, Q16236, P04637, Q96QE3, Q96KQ7, Q9UIF8, P19793, O95149, P03372, Q96RI1, P10275, Q03181, P37231, P08659, P04150, O75496, Q8IUX4, P35869, O94925, Q9HC16, Q99700, P43220, Q9R1A7, Q9NUW8, O75874, Q9NR56, P04792 |
| Iupac Name | bis[4-(dimethylamino)phenyl]methanone |
| Prediction Hob | 1.0 |
| Target Id | NPT51, NPT94, NPT151 |
| Xlogp | 3.9 |
| Molecular Formula | C17H20N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVBLNCFGVYUYGU-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -2.369 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.088 |
| Compound Name | Michler's ketone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.158 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.121931999999999 |
| Inchi | InChI=1S/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,1-4H3 |
| Smiles | CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phellodendron Chinese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all