Cas no 2384-90-9 (1,2-Heptadiene)
1,2-Heptadiene structure
Product Name:1,2-Heptadiene
1,2-Heptadiene Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Heptadiene
- Butylallene
- hepta-1,2-diene
- DTXSID00870962
- 2384-90-9
- 1-BUTYLALLENE
- OEMWTWLQGRYBGM-UHFFFAOYSA-N
- AKOS006284670
- SY347914
- NSC 147135
- NSC147135
- NSC-147135
- 685ZG22A8K
- UNII-685ZG22A8K
- MFCD07780497
-
- Inchi： 1S/C7H12/c1-3-5-7-6-4-2/h5H,1,4,6-7H2,2H3
- InChI Key： OEMWTWLQGRYBGM-UHFFFAOYSA-N
- SMILES： C(CC=C=C)CC
Computed Properties
- Exact Mass: 96.09396
- Monoisotopic Mass: 96.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 66.1
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 2.6
Experimental Properties
- Density: 0.7306
- Melting Point: -105.67°C (estimate)
- Boiling Point: 103.75°C
- Flash Point: 2.2°C
- Refractive Index: 1.4320
- PSA: 0
1,2-Heptadiene Related Literature
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1. Palladium-catalyzed intermolecular carboazidation of allenes with aryl iodides and trimethylsilyl azideHao-Ming Chang,Chien-Hong Cheng J. Chem. Soc. Perkin Trans. 1 2000 3799
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Nina A. Nedolya,Lambert Brandsma,Boris A. Trofimov Mendeleev Commun. 1997 7 92
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C. S. Adams,C. D. Weatherly,E. G. Burke,J. M. Schomaker Chem. Soc. Rev. 2014 43 3136
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Ming-Si Wu,Muthian Shanmugasundaram,Chien-Hong Cheng Chem. Commun. 2003 718
-
Guolin Lu,Yongjun Li,Hao Guo,Weiyuan Du,Xiaoyu Huang Polym. Chem. 2013 4 3132
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