Cas no 74205-57-5 (Benzeneacetonitrile, 3-butoxy-)
74205-57-5 structure
Product Name:Benzeneacetonitrile, 3-butoxy-
CAS No:74205-57-5
MF:C12H15NO
MW:189.253603219986
CID:541424
PubChem ID:22158212
Update Time:2025-04-19
Benzeneacetonitrile, 3-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, 3-butoxy-
- 2-(3-butoxyphenyl)acetonitrile
- DTXSID40623030
- (3-Butoxyphenyl)acetonitrile
- PVRCSKCAERGTQG-UHFFFAOYSA-N
- SCHEMBL9692722
- 74205-57-5
- 3-butyloxybenzyl cyanide
-
- Inchi： 1S/C12H15NO/c1-2-3-9-14-12-6-4-5-11(10-12)7-8-13/h4-6,10H,2-3,7,9H2,1H3
- InChI Key： PVRCSKCAERGTQG-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(CC#N)C=1)CCCC
Computed Properties
- Exact Mass: 189.115364102g/mol
- Monoisotopic Mass: 189.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 194
- 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: 2.7
- Topological Polar Surface Area: 33?2
Benzeneacetonitrile, 3-butoxy- Related Literature
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
74205-57-5 (Benzeneacetonitrile, 3-butoxy-) Related Products
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