Dimethametryn
Basic information
- CAS
22936-75-0- Standard SMILES
CCNc1nc(NC(C)C(C)C)nc(SC)n1- InChIKey
IKYICRRUVNIHPP-UHFFFAOYSA-N- Molecular formula
- C11H21N5S
- Average molar mass
- 255.39 g/mol
- Monoisotopic mass
- 255.15176686
Overview
Dimethametryn is a member of 1,3,5-triazines.
Names & identifiers
- Preferred name
- Dimethametryn
- IUPAC
- 4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
- English name
- DIMETHAMETRYN
- Molecular formula
- C11H21N5S
- Molecular weight
- 255.38
Names & synonyms
DIMETHAMETRYN22936-75-0DTXSID3041873044DE9GA31BELCLENE-310CG-7103DTXCID1021873C-18898RefChem:588015245-337-6DimethametorinDimethametryne
Show more names
cg7103c18898DimepaxAVIROSANbelclene310DimethametrnimethametrynDimethametyne
Belclene 310CG 71031,3,5-Triazine-2,4-diamine, N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylthio)-C 188982-((1,2-Dimethylpropyl)amino)-4-(ethylamino)-6-(methylthio)-s-triazine2-(Methylthio)-4-(ethylamino)-6-((1,2-dimethylpropyl)amino)-s-triazine4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamines-Triazine, 2-((1,2-dimethylpropyl)amino)-4-ethylamino-6-methylthio-
Database identifiers
- CAS
22936-75-0- PubChem CID
- 31573
- DTXSID
DTXSID3041873- ChEMBL
CHEMBL3185273- ChEBI
CHEBI:81813- UNII
- 044DE9GA31
- EC Number
- 245-337-6
- Nikkaji
- J1.870H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
LogP3.76
Collision Cross Section165.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041873]
Physicochemical properties
- Melting point
- 65 °C · 65°C
- Boiling point
- 152 °C · 152 °C
- Density
- 1.1606 · 1.1606 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- 3.69 · 3.69±0.10(Predicted)
- Water Solubility
- 50 mg/L · 50mg/L(20 ºC)
- BRN
- 528188 · 528188
- Henry's Law Constant
- 8.2 · 8.2×103 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Other Safety InformationIMAP assessments - 1,3,5-Triazine-2,4-diamine, N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylthio)-: Environment tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitization - Category 1B
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- rtecs
- XY7500000
- ridadr
- UN3077 9/PG 3
- Toxicity
- LD50 orl-rat: 3 g/kg 85AREA 2,130,77
- risk_code
- 51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Applications
DescriptionDimethametryn is a rice herbicide. It has a moderate aqueous solubility and, based on its chemical properties, it only slightly mobile and would not be expected to leach to groundwater. It tends to be persistent in soil systems and may also persist in aqueous systems. It is not susceptible to hydrolysis. It has a low mammalian toxicity and is a recognised irritant. It is moderately toxic to fish, aquatic invertebrates and honeybees.
UsesDimethametryn is a pesticide.
Additional notes
DefinitionChEBI: Dimethametryn is a member of 1,3,5-triazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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