Ethyl 1-cyanocyclohexanecarboxylate

CAT: 0127-OR315353-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR315353-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1130-21-8

MDL Number

MFCD19313902

Purity

98%

Smiles

CCOC(=O)C1(CCCCC1)C#N

Chemical Information

Ethyl 1-cyanocyclohexane-1-carboxylate

CAS Number	1130-21-8
PubChem CID	10997650
IUPAC Name	ethyl 1-cyanocyclohexane-1-carboxylate
Molecular Formula	C10H15NO2
Molecular Weight	181.23
XLogP	2.3
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	233

SMILES

CCOC(=O)C1(CCCCC1)C#N

InChI

InChI=1S/C10H15NO2/c1-2-13-9(12)10(8-11)6-4-3-5-7-10/h2-7H2,1H3

InChIKey

ZCBMUZAFIHZTSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1130-21-8

CID: 10997650

Formula: C10H15NO2

MW: 181.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.23
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	181.110278721
Monoisotopic Mass	181.110278721
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1087200-01	1,1-Dimethylethyl 1-cyanocyclohexanecarboxylate
OR1051532	Ethyl 1-ethyl-4-oxocyclohexanecarboxylate
OR1043025-01	1-Ethyl-3-methylpyridinium Ethyl Sulfate
OR919806-01	1-Ethyl-1-phenylhydrazine
OR1092884	α-Ethyl-1-naphthalenemethanol
OR1002464-01	Ethyl 1-isobutyrylcyclopropanecarboxylate
OR905924-01	Ethyl 1-isocyanocyclohexanecarboxylate
OR88026-01	Ethyl 1-formylcyclobutanecarboxylate
OR1033346-01	Ethyl 1-propanesulfonate
OR938628	Ethyl 1-hydroxycyclohexanecarboxylate

Catalog	Name
IL-0033-HP-BULK	1-Ethyl-3-methylimidazolium ethyl sulfate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
275942-01	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-487106	Ethyl (R) - (+) -1-ethyl-2-pyrrolidinecarboxylate
RFB52917-01	Ethyl[1- (4-fluorophenyl) ethyl]amine
448663-01	Ethyl 1-ethyl-1,3-benzodiazole-5-carboxylate
FEA34056-01	[1- (1-Benzofuran-2-yl) ethyl] (ethyl) amine
sc-487119	1-Ethyl-1-phenylhydrazine
sc-498000	1-Ethyl-1-methylcyclopentane
409690-01	1-Ethyl-1-cyclopentene