2-Ethylbutanenitrile - CAS 617-80-1

Catalog:	BB031255
Product Name:	2-Ethylbutanenitrile
CAS:	617-80-1
Synonyms:	2-ethylbutanenitrile; 2-ethylbutanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-ethylbutanenitrile
Description:	2-Ethylbutanenitrile (CAS# 617-80-1) is a useful research chemical.
Molecular Weight:	97.16
Molecular Formula:	C6H11N
Canonical SMILES:	CCC(CC)C#N
InChI:	InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3
InChI Key:	QARLTYSAFQGMMB-UHFFFAOYSA-N
Boiling Point:	145.5 °C at 760 mmHg
Density:	0.8 g/cm³
LogP:	1.94618

Publication Number	Title	Priority Date
WO-2020017135-A1	Method for manufacturing ketones	20180718
CN-112424154-A	Process for producing ketone	20180718
JP-WO2020017135-A1	Ketone manufacturing method	20180718
WO-2019149657-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
AU-2019215707-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors	20180202

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

Complexity:	73.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.089149355
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	97.089149355
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7