Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- structure

Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-

4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile

Also Known As: ACMC-1BGC6|Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-|Benzonitrile, 4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]-|4-[5-(4-Heptylcyclohexyl)-2-pyrimidinyl]benzonitrile|4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile|trans-4-(5-(4-Heptylcyclohexyl)-2-pyrimidinyl)benzonitrile|4-{5-[(1s,4r)-4-heptylcyclohexyl]pyrimidin-2-yl}benzonitrile|Benzonitrile, 4-(5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl)-|TRANS-4-[5-(4-HEPTYLCYCLOHEXYL)-2-PYRIMIDYL]BENZONITRILE|4-[5-(4-Heptyl-cyclohexyl)-pyrimidin-2-yl]-benzonitrile|trans-4-(5-(4-Heptylcyclohexyl)-2-pyrimidyl)benzonitrile|Benzonitrile,4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-|4-[5-(4alpha-Heptylcyclohexan-1beta-yl)-2-pyrimidinyl]benzonitrile|4-[5-(4beta-Heptylcyclohexan-1alpha-yl)pyrimidin-2-yl]benzonitrile|Benzonitrile, 4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]-, trans-

CAS: 116265-98-6
Molecular Formula C24H31N3
Molecular Weight 361.2518 g/mol
LogP 7.6
Topological Polar Surface Area 49.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 8
Exact Mass 361.2518
Monoisotopic Mass 361.2518
Heavy Atoms 27
Complexity 443.0

Chemical Identifiers

CAS Number 116265-98-6
SMILES CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N
InChIKey VJMNQADPCKONIA-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Dyes & Pigments (4 patents) Heterocyclic Building Blocks (3 patents) Organic Building Blocks (6 patents) Specialty Chemicals (14 patents)

Product Overview

Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- (CAS 116265-98-6), with molecular formula C24H31N3 and molecular weight 361.2518 g/mol. IUPAC: 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- is a custom synthesis product. We offer services from milligram to kilogram scale.

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