Cas no 1228-02-0 (1-Piperidinebutanenitrile,a-(1-methylpropyl)-a-phenyl-)
1228-02-0 structure
Product Name:1-Piperidinebutanenitrile,a-(1-methylpropyl)-a-phenyl-
CAS No:1228-02-0
MF:C19H28N2
MW:284.439024925232
CID:191263
PubChem ID:103752
Update Time:2025-04-19
1-Piperidinebutanenitrile,a-(1-methylpropyl)-a-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1-Piperidinebutanenitrile,a-(1-methylpropyl)-a-phenyl-
- 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
- 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile
- 3-METHYL-2-PHENYL-2-[2-(PIPERIDIN-1-YL)ETHYL]PENTANENITRILE
- Valeronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-
- 1-Piperidinebutanenitrile, alpha-(1-methylpropyl)-alpha-phenyl-
- Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)-
- BRN 1253289
- 1228-02-0
- DTXSID00924277
-
- Inchi： 1S/C19H28N2/c1-3-17(2)19(16-20,18-10-6-4-7-11-18)12-15-21-13-8-5-9-14-21/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3
- InChI Key： JHWFWJSHRYEDOF-UHFFFAOYSA-N
- SMILES： N1(CCCCC1)CCC(C#N)(C1C=CC=CC=1)C(C)CC
Computed Properties
- Exact Mass: 284.22544
- Monoisotopic Mass: 284.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 27?2
Experimental Properties
- Density: 0.982
- Boiling Point: 421.7°C at 760 mmHg
- Flash Point: 174°C
- Refractive Index: 1.517
- PSA: 27.03
1-Piperidinebutanenitrile,a-(1-methylpropyl)-a-phenyl- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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