Basic information
- CAS
35256-85-0- Standard SMILES
CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C- InChIKey
RJKCKKDSSSRYCB-UHFFFAOYSA-N- Molecular formula
- C15H23NO
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.17796436
Overview
Tebutam is a monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant.
Names & identifiers
- Preferred name
- Tebutam
- IUPAC
- N-benzyl-2,2-dimethyl-N-propan-2-ylpropanamide
- English name
- TEBUTAM
- Molecular formula
- C15H23NO
- Molecular weight
- 233.35
Names & synonyms
TebutamButam35256-85-0N-Benzyl-N-isopropylpivalamideN-Benzyl-N-isopropyltrimethylacetamideDTXSID5041691Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-43Q5P667CM2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamideDTXCID3021691CHEBI:82043RefChem:1099415
Show more names
COLZORs-15544COMODORButam(TM)Brn 2838127Einecs 252-470-3
252-470-3TebutameGCP-5544N-benzyl-2,2-dimethyl-N-(propan-2-yl)propanamideN-benzyl-2,2-dimethyl-N-propan-2-ylpropanamideN-Benzyl-N-isopropyl-2,2-dimethylpropionamidePropionamide, N-benzyl-2,2-dimethyl-N-isopropyl-Butam [ANSI]
Database identifiers
- CAS
35256-85-0- PubChem CID
- 92299
- DTXSID
DTXSID5041691- ChEMBL
CHEMBL3187066- ChEBI
CHEBI:82043- UNII
- 43Q5P667CM
- EC Number
- 252-470-3
- Nikkaji
- J19.754H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Tebutam) -> USDA PDB
Collision Cross Section154.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041691]
Physicochemical properties
- Melting point
- 25 ℃ · <25℃
- Boiling point
- 96 °C · 96 °C
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- Flash point
- 80 °C · 80 °C
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol
- pka
- -0.5 · -0.50±0.70(Predicted)
- color
- Yellow
- BRN
- 2838127 · 2838127
- Henry's Law Constant
- 3.8 · 3.8×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
- InChIKey
- RJKCKKDSSSRYCB-UHFFFAOYSA-N
- SMILES
- CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
- FDA UNII
- 43 Q5P667CM · 43Q5P667CM
- EPA Substance Registry System
- Butam (35256-85-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 2 · 2
- RTECS
- 3152000 · UE3152000
- HS Code
- 29242990 · 29242990
- Storage Class
- 10 · 10 - Combustible liquids
- Toxicity
- 50 · guinea pig,LD50,oral,2025mg/kg (2025mg/kg),"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A444, Pg. 1985,
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information2002/2076
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- UE3152000
- ridadr
- NA 1993 / PGIII
- hs_code
- 29242990
- Toxicity
- guinea pig,LD50,oral,2025mg/kg (2025mg/kg),"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A444, Pg. 1985,
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesTebutam is used as herbicide and pesticide.
Suppliers26 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京罗迈美生物科技有限公司[email protected]
上海纳孚生物科技有限公司021-58952328 13125124762
上海泰坦科技股份有限公司18616708014 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
南京枫景晴生物科技有限公司15062262630 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Additional notes
DefinitionChEBI: A monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide.
Related reactions
2 records
Compound notes
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