Basic information
- CAS
6597-31-5- Standard SMILES
COc1cc(C(=O)Nc2c(C)cccc2C)cc(OC)c1OC- InChIKey
AUXMHPFDZWXPIF-UHFFFAOYSA-N- Molecular formula
- C18H21NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.14705815
Names & identifiers
- Preferred name
- N-(2,6-Dimethylphenyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide
- English name
- N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide
- Molecular formula
- C18H21NO4
- Molecular weight
- 315.36364
Names & synonyms
N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide6597-31-5RefChem:824192662-559-2Oprea1_626100STK415580AKOS001012577ST50646562AK-968/11095006Z27073198N-(2,6-dimethylphenyl)(3,4,5-trimethoxyphenyl)carboxamide
Database identifiers
- CAS
6597-31-5- PubChem CID
- 902886
- EC Number
- 662-559-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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