Cas no 132298-15-8 (4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one)
132298-15-8 structure
Product Name:4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one
CAS No:132298-15-8
MF:C8H9NO
MW:135.163161993027
CID:1229825
PubChem ID:3076715
Update Time:2025-04-20
4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one
- DTXSID80157465
- 2,6-Dimethylquinoneimine
- 3,5-Dimethyl-4-imino-2,5-cyclohexadien-1-one
- SCHEMBL10787081
- 2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
- 132298-15-8
- 2,6-dimethyl-1,4-benzoquinone imine
-
- Inchi： 1S/C8H9NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,9H,1-2H3
- InChI Key： UHVVLGDTSBKXLE-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)/C(/C(C)=C1)=N/[H]
Computed Properties
- Exact Mass: 135.06847
- Monoisotopic Mass: 135.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 234
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.92
4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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