2-Cyclohexylacetonitrile

CAT: 0127-OR921645-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR921645-01Size:250 mg

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CAS Number

4435-14-7

MDL Number

MFCD00058667

Purity

97%

Smiles

N#CCC1CCCCC1

Chemical Information

2-Cyclohexylacetonitrile

CAS Number	4435-14-7
PubChem CID	10953488
IUPAC Name	2-cyclohexylacetonitrile
Molecular Formula	C8H13N
Molecular Weight	123.20
XLogP	2.7
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	114

SMILES

C1CCC(CC1)CC#N

InChI

InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2

InChIKey

MXFPACNADGXIQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4435-14-7

CID: 10953488

Formula: C8H13N

MW: 123.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.20
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	123.104799419
Monoisotopic Mass	123.104799419
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
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
OR7121-01	1-Cyclohexenylacetonitrile
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde

Catalog	Name
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