Cas no 106168-50-7 (Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate)
106168-50-7 structure
Product Name:Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate
CAS No:106168-50-7
MF:C27H32N2O2
MW:416.555187225342
CID:230687
PubChem ID:13516083
Update Time:2025-04-19
Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate Chemical and Physical Properties
Names and Identifiers
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- Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate
- [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium,acetate
- Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-e...
- Ethanaminium, N-4-4-(dimethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, acetate
- Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)
- Methanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadiene-1-ylidene)-N-methyl-, acetate
- DTXSID5073030
- Ethanaminium, N-4-4-(dimethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, aceta
- 106168-50-7
- Ethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate
- [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;acetate
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- Inchi: 1S/C25H29N2.C2H4O2/c1-5-27(6-2)24-18-14-22(15-19-24)25(20-10-8-7-9-11-20)21-12-16-23(17-13-21)26(3)4;1-2(3)4/h7-19H,5-6H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- InChI Key: RSJYYOXTGQHLIP-UHFFFAOYSA-M
- SMILES: [O-]C(C)=O.N(CC)(CC)C1C=CC(=CC=1)C(C1C=CC=CC=1)=C1C=CC(C=C1)=[N+](C)C |c:22,29|
Computed Properties
- Exact Mass: 416.24656
- Monoisotopic Mass: 416.246378268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 608
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.4?2
Experimental Properties
- PSA: 46.38
- LogP: 3.93000
Ethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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