Cas no 256504-38-8 (Butanenitrile,2-[(dimethylamino)methylene]-)
![Butanenitrile,2-[(dimethylamino)methylene]- structure](https://ossimg.kuujia.com/scimg/257000/256504-38-8x500.png)
256504-38-8 structure
Product Name:Butanenitrile,2-[(dimethylamino)methylene]-
CAS No:256504-38-8
MF:C7H12N2
MW:124.183581352234
CID:246905
Update Time:2024-01-26
Butanenitrile,2-[(dimethylamino)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile,2-[(dimethylamino)methylene]-
- Butanenitrile, 2-[(dimethylamino)methylene]- (9CI)
- Butanenitrile, 2-[(dimethylamino)methylene]-
-
- Inchi： 1S/C7H12N2/c1-4-7(5-8)6-9(2)3/h6H,4H2,1-3H3
- InChI Key： YPIDUEJICYOEGJ-UHFFFAOYSA-N
- SMILES： C(#N)C(=CN(C)C)CC
Computed Properties
- Exact Mass: 124.1
- Monoisotopic Mass: 124.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 148
- 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
- Topological Polar Surface Area: 27A^2
Experimental Properties
- Density: 0.898±0.06 g/cm3(Predicted)
- Boiling Point: 293.4±13.0 °C(Predicted)
- pka: 3.99±0.70(Predicted)
Butanenitrile,2-[(dimethylamino)methylene]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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