Cas no 26294-98-4 (2-Pentenenitrile, (2E)-)
2-Pentenenitrile, (2E)- structure
Product Name:2-Pentenenitrile, (2E)-
2-Pentenenitrile, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenenitrile, (2E)-
- pent-2-enenitrile
- (E)-pent-2-enenitrile
- 2-Pentenenitrile, (E)-
- Q27252950
- 26294-98-4
- J-006230
- (2E)-2-Pentenenitrile
- trans-pent-2-enenitrile
- 13284-42-9
- TRANS-1-BUTENYL CYANIDE
- CHEMBL2138413
- 1-Buten-1-yl Cyanide
- EINECS 236-297-0
- (E)-2-Pentenenitrile
- 2-Pentenenitrile, technical, ~70% (GC)
- EINECS 247-593-4
- P0870
- (Z)-2-Pentenenitrile
- AKOS000121304
- NS00084668
- NCGC00090845-02
- 2-PENTENENITRILE
- UNII-1VA047EULA
- TRANS-2-PENTENENITRILE
- 2 - Pentenenitrile
- 1VA047EULA
- 2-Pentenenitrile, (Z)-
- 4,6-DINITRO-O-CRESOLSODIUMSALT
- W-110644
- EN300-19303
- (2E)-pent-2-enenitrile
- (2E)-2-Pentenenitrile #
- ISBHMJZRKAFTGE-ONEGZZNKSA-N
- NCGC00090845-01
- CCRIS 6089
- 4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID
- 2-PENTENENITRILE, TRANS-
-
- MDL： MFCD00001936
- Inchi： 1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
- InChI Key： ISBHMJZRKAFTGE-ONEGZZNKSA-N
- SMILES： N#C/C=C/CC
Computed Properties
- Exact Mass: 81.05791
- Monoisotopic Mass: 81.057849228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 83.4
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.85
2-Pentenenitrile, (2E)- Related Literature
-
Christian Pfrang,Robert S. Martin,Andrew Nalty,Richard Waring,Carlos E. Canosa-Mas,Richard P. Wayne Phys. Chem. Chem. Phys. 2005 7 2506
-
Lindsay A. Hobson,Eric J. Thomas Org. Biomol. Chem. 2012 10 7510
-
P. A. Vecino,Z. Huang,J. Mitchell,J. McGregor,H. Daly,C. Hardacre,J. M. Thomson,L. F. Gladden Phys. Chem. Chem. Phys. 2015 17 20830
-
Theodoros Pavloudis,Joseph Kioseoglou,Richard E. Palmer Phys. Chem. Chem. Phys. 2022 24 3231
-
G. C. Bond,R. A. Hillyard Discuss. Faraday Soc. 1968 46 20
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