Cycloheptane

CAT: 0127-OR1079004-02Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1079004-02Size:25 mL

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CAS Number

291-64-5

MDL Number

MFCD00004147

Purity

>98.0%

Smiles

C1CCCCCC1

Chemical Information

Cycloheptane

Cycloheptane appears as a colorless oily liquid. Insoluble in water and less dense than water. Flash point 60 °F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

CAS Number	291-64-5
PubChem CID	9265
IUPAC Name	cycloheptane
Molecular Formula	C7H14
Molecular Weight	98.19
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	19

SMILES

C1CCCCCC1

InChI

InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2

InChIKey

DMEGYFMYUHOHGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 291-64-5

CID: 9265

Formula: C7H14

MW: 98.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	98.19
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	98.109550447
Monoisotopic Mass	98.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	19.7
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

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OR921124-01	Cycloheptanone oxime
OR1070171-01	(Chloromethyl) cyclohexane
PC9548	(Dichlorofluoromethyl) cyclohexane
PC6611	(Trifluorovinyl) cyclohexane

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Catalog	Name
sc-239606	Cycloheptane
DAA81432	(Bromomethyl) cycloheptane
C29830-01	Cycloheptane 99%
XZB39400-01	(2-Chloroethoxy) cycloheptane
XZB35486-01	(4-Aminobutoxy) cycloheptane
XAA57930-01	(2-Bromoethyl) cycloheptane
ZZB41902-01	(2-Aminoethoxy) cycloheptane
DAA00839-01	Cycloheptane-1,2-dione
GTR19246054-01	Cycloheptane-1,3-dione
sc-481678	Boc-1-amino-cycloheptane carboxylic acid

Cycloheptane

Chemical Information

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