Cas no 106518-84-7 (2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl-)
![2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/107000/106518-84-7x500.png)
106518-84-7 structure
Product Name:2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl-
CAS No:106518-84-7
MF:C14H16BrNO
MW:294.186943054199
CID:1175835
PubChem ID:3389075
Update Time:2025-04-20
2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl-
- 3-(4-bromoanilino)-5,5-dimethylcyclohex-2-en-1-one
- DTXSID50392043
- AKOS000447635
- 3-(4-bromophenylamino)-5,5-dimethylcyclohex-2-enone
- 3-(4-BROMOANILINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
- Z57154099
- 106518-84-7
- SR-01000073367
- STK263727
- CHEMBL2031633
- 3-[(4-bromophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
- SR-01000073367-1
-
- Inchi： 1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-7,16H,8-9H2,1-2H3
- InChI Key： XIOHTTFVDXJURY-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)NC1=CC(CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 293.04158
- Monoisotopic Mass: 293.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 327
- 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: 3.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
- LogP: 4.20700
2-Cyclohexen-1-one, 3-[(4-bromophenyl)amino]-5,5-dimethyl- Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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