Cas no 29850-91-7 (Benzeneacetamide, a-(1-ethylpropyl)-)
29850-91-7 structure
Product Name:Benzeneacetamide, a-(1-ethylpropyl)-
CAS No:29850-91-7
MF:C13H19NO
MW:205.296063661575
CID:264685
PubChem ID:279111
Update Time:2025-04-19
Benzeneacetamide, a-(1-ethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetamide, a-(1-ethylpropyl)-
- 3-Aethyl-2-phenylmercapto-benzothiazolium, Jodid
- 3-Aethyl-2-phenyl-valeriansaeure-amid
- 3-ethyl-2-phenylsulfanyl-benzothiazolium, iodide
- 3-Ethyl-2-phenylvaleramid
- 3-ethyl-2-phenyl-valeric acid amide
- Benzothiazolium, 3-ethyl-2-(phenylthio)-, iodide
- CTK1C9432
- NSC-129385
- 29850-91-7
- NSC129385
-
- Inchi: 1S/C13H19NO/c1-3-10(4-2)12(13(14)15)11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3,(H2,14,15)
- InChI Key: SETRRRBRWWJNQL-UHFFFAOYSA-N
- SMILES: O=C(C(C1C=CC=CC=1)C(CC)CC)N
Computed Properties
- Exact Mass: 205.14677
- Monoisotopic Mass: 205.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 193
- 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: 3.2
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 0.993
- Boiling Point: 350.5°Cat760mmHg
- Flash Point: 165.8°C
- Refractive Index: 1.516
- PSA: 43.09
- LogP: 3.39200
Benzeneacetamide, a-(1-ethylpropyl)- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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4. 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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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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