Cas no 93981-80-7 (Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl-)
93981-80-7 structure
Product Name:Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl-
CAS No:93981-80-7
MF:C14H19N
MW:201.30736374855
CID:805807
PubChem ID:3023178
Update Time:2025-04-19
Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl-
- 3-(4-tert-butylphenyl)-2-methylpropanenitrile
- 3-(p-tert-butylphenyl)-2-methylpropiononitrile
- EINECS 301-168-0
- DTXSID80916756
- 93981-80-7
- SCHEMBL10618893
- NS00063851
-
- Inchi： 1S/C14H19N/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9H2,1-4H3
- InChI Key： IJCFINYXARJUNJ-UHFFFAOYSA-N
- SMILES： N#CC(C)CC1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 201.152
- Monoisotopic Mass: 201.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 0.933
- Boiling Point: 318.3°Cat760mmHg
- Flash Point: 149.4°C
- Refractive Index: 1.498
Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
93981-80-7 (Benzenepropanenitrile,4-(1,1-dimethylethyl)-a-methyl-) Related Products
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