Cyclohexyl isocyanide - CAS 931-53-3

Catalog:	BB040795
Product Name:	Cyclohexyl isocyanide
CAS:	931-53-3
Synonyms:	isocyanocyclohexane

Technical Data

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Computed Properties

IUPAC Name:	isocyanocyclohexane
Description:	Cyclohexyl Isocyanide can be used as novel arginase inhibitors to treat diseases.
Molecular Weight:	109.17
Molecular Formula:	C7H11N
Canonical SMILES:	[C-]#[N+]C1CCCCC1
InChI:	InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
InChI Key:	XYZMOVWWVXBHDP-UHFFFAOYSA-N
Boiling Point:	173-176 ℃
Melting Point:	6 ℃
Purity:	95 %
Density:	0.878 g/mL at 25 ℃ (lit.)
Appearance:	Colourless liquid
Storage:	2-8 ℃
LogP:	1.46910

Publication Number	Title	Priority Date
CN-113372276-A	Indazole derivative and application thereof	20210525
CN-113072496-A	Preparation method of isoquinoline-1-formamide compound	20210329
CN-112812231-A	Material for adsorbing Cd in soil	20210218
CN-112778324-A	Polysubstituted difuran cycloheptatrienamine derivative and preparation method thereof	20210127
CN-112480019-A	2-benzoxazolone derivative of acanthus ilicifolius alkaloid in marine mangrove, and preparation method and application thereof	20201127

PMID	Publication Date	Title	Journal
22978377	20121019	One-pot five-component synthesis of spirocyclopenta[b]chromene derivatives and their acid-catalyzed rearrangement	The Journal of organic chemistry
22412627	20120301	rac-7-[(2E)-But-2-eno-yl]-13-chloro-N-cyclo-hexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide	Acta crystallographica. Section E, Structure reports online
22346914	20120201	N-[2-(N-Cyclo-hexyl-carbamo-yl)propan-2-yl]-N-(2-iodo-phen-yl)prop-2-ynamide	Acta crystallographica. Section E, Structure reports online
22058907	20110901	Bis[N-cyclohexyl-1-(2-{1-[(cyclohexyl-amino)carbonyl]cyclohexyl}-3,5-dioxo-1,2-oxazolidin-4-yl)cyclopentanecarbox-amide] monohydrate	Acta crystallographica. Section E, Structure reports online
21700466	20110715	Imidazo[1,2-a]pyridin-3-amines as potential HIV-1 non-nucleoside reverse transcriptase inhibitors	Bioorganic & medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

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[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
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[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.089149355
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7