Secbumeton
Basic information
- CAS
26259-45-0- Standard SMILES
CCNc1nc(NC(C)CC)nc(OC)n1- InChIKey
ZJMZZNVGNSWOOM-UHFFFAOYSA-N- Molecular formula
- C10H19N5O
- Average molar mass
- 225.29 g/mol
- Monoisotopic mass
- 225.15896025
Overview
N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is a diamino-1,3,5-triazine and a methoxy-1,3,5-triazine.
Names & identifiers
- Preferred name
- Secbumeton
- IUPAC
- 2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
- English name
- SECBUMETON
- Molecular formula
- C10H19N5O
- Molecular weight
- 225.29
Names & synonyms
SECBUMETON26259-45-0DTXSID8037594EG062W4WWU1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-SECBUMETON [ISO]1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-N4-(1-methylpropyl)-DTXCID60175942-(SEC-BUTYLAMINO)-4-ETHYLAMINO-6-METHOXY-S-TRIAZINERefChem:884780CHEBI:822282-(sec-butylamino)-4-(ethylamino)-6-methoxy-s-triazine
Show more names
gs14254GS 14254secumbetonISOBUMETON
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-(9CI)247-554-1EtazineSumitolSumitol 80WEzitansec-Bumetonesec-Bumeton
Database identifiers
- CAS
26259-45-0- PubChem CID
- 33443
- DTXSID
DTXSID8037594- ChEMBL
CHEMBL1894841- ChEBI
CHEBI:83786- UNII
- EG062W4WWU
- EC Number
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP2.96
Human DrugsPharmaceuticals
Collision Cross Section172.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8037594]
Physicochemical properties
- Melting point
- 87 ℃ · 87℃
- Boiling point
- 366.8 °C · 366.8°C (rough estimate)
- Density
- 1.1038 · 1.1038 (rough estimate)
- refractive index
- 1.761 · 1.7610 (estimate)
- storage temp.
- 0 · 0-6°C
- form
- Crystalline
- pka
- 4.39 · 4.39±0.10(Predicted)
- Water Solubility
- 619.6 mg/L · 619.6mg/L(20 ºC)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H302+H312 (92.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information2002/2076
Other Safety InformationIMAP assessments - 1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XY4980000
- ridadr
- UN3077 9/PG 3
- hs_code
- 29336990
- Toxicity
- LD50 oral in rat: 1gm/kg
- risk_code
- 22-36-50/53-21/22
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
General Manufacturing Information1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-N4-(1-methylpropyl)-: INACTIVE
Applications
UsesSecbumeton may be used as an analytical reference standard for the quantification of the analyte in environmental samples, agricultural commodities and vegetable samples using different chromatography techniques.
General DescriptionSecbumeton belongs to the class of triazine herbicides, widely used in agriculture to obtain high yield productions. Its mode of action involves the inhibition of photosynthesis, thereby controlling thegrowthofgrassesand broadleafweeds.
Additional notes
DefinitionChEBI: N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is a diamino-1,3,5-triazine and a methoxy-1,3,5-triazine.
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