Heptane

CAT: 1299-RG-H051601-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-H051601-01Size:10 mg

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CAS Number

142-82-5

Synonyms

Heptane

Molecular Formula

C7H16

Molecular Weight

100.2

Product Name Synonym

Heptane

Chemical Information

Heptane

Heptane is a straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). It has a role as a non-polar solvent and a plant metabolite. It is a volatile organic compound and an alkane.

CAS Number	142-82-5
PubChem CID	8900
IUPAC Name	heptane
Molecular Formula	C7H16
Molecular Weight	100.20
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	19

SMILES

CCCCCCC

InChI

InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142-82-5

CID: 8900

Formula: C7H16

MW: 100.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	100.20
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	100.125200510
Monoisotopic Mass	100.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	19.2
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

Related Products

Catalog	Name
RG-H051602-01	Heptan-3-One
RG-P051601-01	Heptan-2-Ol
RG-H051603-01	Heptan-4-One
RG-A261713-01	Heptan-2-One
RG-A260462-01	2,6-Dimethyl-4-Heptanone
RG-P051426-01	2,2,4,6,6-Pentamethyl-3-Heptene
RG-E141632-01	5-Methyl-4-hepten-3-one
RG-E140681-01	1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
RG-E140823-01	N, N-diethyl-3-phenylbicyclo[2.2.1]heptan-2-amine
RG-A261230-01	(Z) -3- (Heptadec-10-En-1-Yl) Phenol

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Catalog	Name
17522-05	Heptane
459129-01	N-Heptane
sc-228274	Heptane-d16
H01410-01	Heptane 98%
HC5400	n-Heptane Reagent
BEA65429-01	4- (Bromomethyl) heptane
BAA63906-01	Heptane-4-thiol
TRC-B694445-5G	3-(Butoxymethyl)heptane
LC-7090.3	N-Heptane pure
LC-4043.2	N-Heptane for HPLC

Heptane

Chemical Information

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