[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate

CAS: 21330-98-3

Molecular Formula	`C21H26N2O5`
Molecular Weight	386.4 g/mol
LogP	3.9
Topological Polar Surface Area	92.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	386.18417
Heavy Atoms	28
Complexity	606.0

Chemical Identifiers

CAS Number	21330-98-3
SMILES	`CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C3=CC=CC=C3`
InChIKey	`BOCFDPNAAMHRMT-UHFFFAOYSA-N`

📖 Product Overview

[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate (CAS: 21330-98-3) is a chemical compound with molecular formula C21H26N2O5 and molecular weight 386.4 g/mol. Its IUPAC systematic name is [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate. LogP 3.9 Topological Polar Surface Area 92.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 386.18417 Heavy Atoms 28 Complexity 606.0 InChI Key: BOCFDPNAAMHRMT-UHFFFAOYSA-N. SMILES: CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C3=CC=CC=C3.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate.

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