Cas no 61997-77-1 (2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]-)
![2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/62000/61997-77-1x500.png)
61997-77-1 structure
Product Name:2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]-
CAS No:61997-77-1
MF:C15H19NO
MW:229.317464113235
CID:1635442
Update Time:2024-09-12
2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]-
- 5,5-dimethyl-3-[(3-methylphenyl)amino]cyclohex-2-en-1-one
-
- Inchi： 1S/C15H19NO/c1-11-5-4-6-12(7-11)16-13-8-14(17)10-15(2,3)9-13/h4-8,16H,9-10H2,1-3H3
- InChI Key： FSWZTHYTZCBJJA-UHFFFAOYSA-N
- SMILES： C1(=O)CC(C)(C)CC(NC2=CC=CC(C)=C2)=C1
Computed Properties
- Exact Mass: 229.14677
- Monoisotopic Mass: 229.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 330
- 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
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- PSA: 29.1
2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
61997-77-1 (2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-methylphenyl)amino]-) Related Products
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