Cas no 53243-59-7 (2-Pentenenitrile,3-methyl-5-phenyl-, (2Z)-)
53243-59-7 structure
Product Name:2-Pentenenitrile,3-methyl-5-phenyl-, (2Z)-
CAS No:53243-59-7
MF:C12H13N
MW:171.238322973251
CID:373207
Update Time:2026-05-14
2-Pentenenitrile,3-methyl-5-phenyl-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenenitrile,3-methyl-5-phenyl-, (2Z)-
- (2Z)-3-Methyl-5-phenyl-2-pentenenitrile
- (Z)-3-methyl-5-phenylpent-2-enenitrile
- CITRONITRIL
- (2Z)-3-methyl-5-phenylpent-2-enenitrile
- 2-Pentenenitrile, 3-methyl-5-phenyl-, (Z)-
- 3-methyl-5-phenyl-, (Z)-2-Pentenenitrile
-
- Inchi： 1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9-
Computed Properties
- Exact Mass: 171.10489
- Monoisotopic Mass: 171.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 0.978
- Boiling Point: 310°C at 760 mmHg
- Flash Point: 141.8°C
- Refractive Index: 1.53
- PSA: 23.79
- LogP: 3.08908
2-Pentenenitrile,3-methyl-5-phenyl-, (2Z)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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