N-Heptane 99.5% GC

CAT: 1507-1336C 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-1336C 00500Size:500 mL

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CAS Number

142-82-5

HSN Code

29012990

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

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N-Heptane 99.5% GC

Chemical Information

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