Basic information
- CAS
1610-17-9- Standard SMILES
CCNc1nc(NC(C)C)nc(OC)n1- InChIKey
PXWUKZGIHQRDHL-UHFFFAOYSA-N- Molecular formula
- C9H17N5O
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.14331016
Overview
Atraton is a diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a diamino-1,3,5-triazine and a methoxy-1,3,5-triazine.
Names & identifiers
- Preferred name
- Atraton
- IUPAC
- 4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
- English name
- ATRATON
- Molecular formula
- C9H17N5O
- Molecular weight
- 211.26
Names & synonyms
Atraton1610-17-9GesataminATRATONE2-Ethylamino-4-isopropylamino-6-methoxy-s-triazine2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine2-Methoxy-4-isopropylamino-6-ethylamino-S-triazine4-Ethylamino-6-isopropylamino-2-methoxy-s-triazineDTXSID0037493N-Ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamineG-322931,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylethyl)-
Show more names
AtrotonG 32293PrimatolGesatamineNSC 163045geigy32,293
6-Ethylamino-4-isopropylamino-2-methoxy-1,3,5-triazineNSC-1630453357WM07W3DTXCID8017493CHEBI:82220NEMMTD cpdRefChem:115501216-547-5
Database identifiers
- CAS
1610-17-9- PubChem CID
- 15359
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Pesticides
Pesticides -> Herbicides -> Triazine herbicides -> Methoxytriazine herbicides
Pesticide (Atraton) -> USDA PDB
LogP2.29
Collision Cross Section168.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0037493]
Physicochemical properties
- Boiling point
- 350.95 °C · 350.95°C (rough estimate)
- Density
- 1.161 · 1.161
- refractive index
- 1.761 · 1.7610 (estimate)
- Flash point
- 11 °C · 11 °C
- storage temp.
- 4 °C · APPROX 4°C
- pka
- 4.31 · 4.31±0.41(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- XY8750000
- ridadr
- UN1230 3/PG 2
- Toxicity
- LD50 oral in rat: 1465mg/kg
- risk_code
- 22-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,F
- safety_code
- 22-24/25-45-24-16-7
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPesticides -> Herbicides -> Triazine herbicides -> Methoxytriazine herbicides
Applications
DescriptionAtraton is an obsolete herbicide that was used for clearing vegetation in non-agricultural areas. It is moderately soluble in water and is non-volatile. It may be persistent in soil systems depending on conditions. Little information is known regarding its ecotoxicity. It is moderately toxic to mammals if ingested and is a recognised irritant.
UsesAtraton is a toxic herbicide and an environmental contaminants.
General DescriptionAtraton is a triazine herbicide intended to control weeds in a variety of crops. Triazines herbicides act by inhibiting photosynthesis in all organisms with oxygen-evolving photosystems.
Upstream & downstream products
Upstream raw materials
Suppliers68 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
湖北科麦迪化工有限公司18372743325
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
Related reactions
6 records
Compound notes
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