Cas no 134123-92-5 (Benzenepropanenitrile,3-ethyl-a,a-dimethyl-)
134123-92-5 structure
Product Name:Benzenepropanenitrile,3-ethyl-a,a-dimethyl-
CAS No:134123-92-5
MF:C13H17N
MW:187.280783414841
CID:226756
PubChem ID:44147757
Update Time:2025-04-19
Benzenepropanenitrile,3-ethyl-a,a-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,3-ethyl-a,a-dimethyl-
- 3-(3-ethylphenyl)-2,2-dimethylpropanenitrile
- Benzenepropanenitrile, 3-ethyl-.alpha.,.alpha.-dimethyl-
- DTXSID30928465
- Benzenepropanenitrile, 3-ethyl-alpha,alpha-dimethyl-
- 134123-92-5
-
- Inchi： 1S/C13H17N/c1-4-11-6-5-7-12(8-11)9-13(2,3)10-14/h5-8H,4,9H2,1-3H3
- InChI Key： VCMOUQMFGFQODR-UHFFFAOYSA-N
- SMILES： N#CC(C)(C)CC1C=CC=C(CC)C=1
Computed Properties
- Exact Mass: 187.136099547g/mol
- Monoisotopic Mass: 187.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 221
- 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: 3.6
- Topological Polar Surface Area: 23.8?2
Benzenepropanenitrile,3-ethyl-a,a-dimethyl- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
134123-92-5 (Benzenepropanenitrile,3-ethyl-a,a-dimethyl-) Related Products
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