Cas no 4412-28-6 (4,4-dimethyl-5-oxo-5-phenylpentanenitrile)
4412-28-6 structure
Product Name:4,4-dimethyl-5-oxo-5-phenylpentanenitrile
CAS No:4412-28-6
MF:C13H15NO
MW:201.264303445816
CID:929340
PubChem ID:299216
Update Time:2025-04-19
4,4-dimethyl-5-oxo-5-phenylpentanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 4,4-dimethyl-5-oxo-5-phenylpentanenitrile
- 3-Benzoylisopentylcyanid
- 4,4-dimethyl-5-oxo-5-phenyl-valeronitrile
- 4-Benzoyl-4,4-dimethylbutanonitril
- 4-Benzoyl-4-methyl-valeronitril
- 5-Oxo-4,4-dimethyl-5-phenyl-valeronitril
- 5-Oxo-4.4-dimethyl-5-phenyl-valeriansaeure-nitril
- AC1L6UA9
- NSC171686
- NSC-171686
- 4412-28-6
- DTXSID30305797
-
- Inchi： 1S/C13H15NO/c1-13(2,9-6-10-14)12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9H2,1-2H3
- InChI Key： KLBAGSWEPOSUPS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C)(C)CCC#N
Computed Properties
- Exact Mass: 201.11545
- Monoisotopic Mass: 201.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 266
- 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: 2.5
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
- LogP: 3.19928
4,4-dimethyl-5-oxo-5-phenylpentanenitrile Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
4412-28-6 (4,4-dimethyl-5-oxo-5-phenylpentanenitrile) Related Products
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