Cas no 26887-10-5 (Benzeneacetonitrile, a-(1-methylbutyl)-)
26887-10-5 structure
Product Name:Benzeneacetonitrile, a-(1-methylbutyl)-
CAS No:26887-10-5
MF:C13H17N
MW:187.280783414841
CID:289289
PubChem ID:296046
Update Time:2025-04-19
Benzeneacetonitrile, a-(1-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-(1-methylbutyl)-
- 3-methyl-2-phenylhexanenitrile
- DTXSID00304454
- NSC-165826
- NSC165826
- SCHEMBL15278730
- 26887-10-5
- AKOS024323172
-
- Inchi： 1S/C13H17N/c1-3-7-11(2)13(10-14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7H2,1-2H3
- InChI Key： ZRGXBDHLUXOPLP-UHFFFAOYSA-N
- SMILES： N#CC(C1C=CC=CC=1)C(C)CCC
Computed Properties
- Exact Mass: 187.13621
- 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: 4
- Complexity: 195
- 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: 3.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Benzeneacetonitrile, a-(1-methylbutyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
26887-10-5 (Benzeneacetonitrile, a-(1-methylbutyl)-) Related Products
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- 14377-68-5(1-phenylcyclobutane-1-carbonitrile)
- 769-68-6(2-Phenylbutyronitrile)
- 13706-68-8(Phenylsuccinonitrile)
- 77-57-6(1-Phenylcyclopentanecarbonitrile)
- 2201-23-2(1-Phenyl-1-cyclohexanecarbonitrile)
- 5336-57-2(2-Ethyl-2-phenylbutyronitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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