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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Heptane

SMILES

CCCCCCC

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Heptane (or n-heptane) is used in laboratories as a non-polar solvent. Recently published article describes the biological monitoring of the n-heptane exposure by its metabolite concentrations and the time course of metabolite excretion.

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
Twenty healthy, non-smoking males (aged 19-38 years, median 25.5) were exposed for 3 h to 167, 333 and 500 ppm n-heptane, each
Route of Administration: Respiratory
Substance Class Chemical
Record UNII
456148SDMJ
Record Status Validated (UNII)
Record Version