Eglinazine-ethyl

HCID 81091

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6616-80-4
Standard SMILES: CCNc1nc(Cl)nc(NCC(=O)OCC)n1
InChIKey: YESXTECNXIKUMM-UHFFFAOYSA-N
Molecular formula: C9H14ClN5O2
Average molar mass: 259.69 g/mol
Monoisotopic mass: 259.0836024

Names & identifiers

Preferred name: Eglinazine-ethyl
IUPAC: ethyl 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]acetate
English name: Eglinazine-ethyl
Molecular formula: C9H14ClN5O2
Molecular weight: 259.69

Names & synonyms

Eglinazine-ethyl6616-80-4Eglinazine-ethyl [ISO]O1C81S6A4MUNII-O1C81S6A4MDTXSID4058449Glycine, N-(4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl), ethyl esterGLYCINE, N-(4-CHLORO-6-(ETHYLAMINO)-1,3,5-TRIAZIN-2-YL)-, ETHYL ESTERRefChem:136360DTXCID8032207ethyl 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]acetateethyl n-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]glycinate

Show more names

MG-06eglinazineeglinazine-ethyl (bsi,e-iso,f-iso,wssa)n-(4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)glycinen-(4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)-glycinN-(4-Chloro-6-ethylamino-1,3,5-triazin-2-yl)glycine ethyl esterGlycine, N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-, ethyl ester

SCHEMBL141536AKOS019358061Q27285199

Database identifiers

CAS: 6616-80-4
PubChem CID: 81091
DTXSID: DTXSID4058449
UNII: O1C81S6A4M
Nikkaji: J21.206G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 89 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 243

Physicochemical properties

Melting point: 228 °C · 228 °C
Boiling point: 434.4 · 434.4±47.0 °C(Predicted)
Density: 1.37 · 1.370±0.06 g/cm3(Predicted)
pka: 1.76 · 1.76±0.10(Predicted)
Henry's Law Constant: 4.1 · 4.1×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
FDA UNII: 1 C81S6A4M · O1C81S6A4M

Chemistry & industry

Applications · 1 item

DescriptionEglinazine-ethyl is a pre-emergence herbicide. It is moderately soluble in water and tends not to be persistent in soil. There are gaps in the reported environmental fate data. It has a low mammalian toxicity. Little has been reported on its ecotoxicity.