1-Methylcyclohexanecarboxaldehyde - CAS 6140-64-3

Catalog:	BB031090
Product Name:	1-Methylcyclohexanecarboxaldehyde
CAS:	6140-64-3
Synonyms:	1-methyl-1-cyclohexanecarboxaldehyde; 1-methylcyclohexane-1-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1-methylcyclohexane-1-carbaldehyde
Description:	1-Methylcyclohexanecarboxaldehyde (CAS# 6140-64-3) is used in preparation of Indazole derivatives as IDO and TDO modulators.
Molecular Weight:	126.20
Molecular Formula:	C8H14O
Canonical SMILES:	CC1(CCCCC1)C=O
InChI:	InChI=1S/C8H14O/c1-8(7-9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChI Key:	FXZFFVCJWZTTMX-UHFFFAOYSA-N
LogP:	2.15570

Publication Number	Title	Priority Date
WO-2021193444-A1	Separator for non-aqueous electrolyte battery	20200324
EP-3838891-A1	Aldimines and uses thereof	20191219
EP-3838957-A1	Polyimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
WO-2021122595-A1	Polyimines and uses thereof	20191219

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GHS Hazard Statement:	H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.104465066
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2