Basic information
- CAS
4129-98-0- Standard SMILES
COc1cc(C(=O)Nc2ccccc2C)cc(OC)c1OC- InChIKey
BGNIILXYCHNOSN-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- p-Benzotoluidide, 3,4,5-trimethoxy-
- IUPAC
- 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
- English name
- 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
- Molecular formula
- C17H19NO4
- Molecular weight
- 301.34
Names & synonyms
3,4,5-trimethoxy-N-(2-methylphenyl)benzamide740-12-5BRN 3104690p-BENZOTOLUIDIDE, 3,4,5-TRIMETHOXY-3,4,5-Trimethoxy-p-benzotoluidideDTXSID40224788N-p-Toluyl 3,4,5-trimethoxy-benzamide [French]Benzamide, 3,4,5-trimethoxy-N-(4-methylphenyl)-N-p-Toluyl 3,4,5-trimethoxy-benzamide2-12-00-00520 (Beilstein Handbook Reference)RefChem:857996DTXCID70147279
Show more names
Benzamide, 3,4,5-trimethoxy-N-(2-methylphenyl)-
4129-98-0662-442-6Oprea1_741749AKOS002265585ST50183086AH-034/07291046N-(2-methylphenyl)(3,4,5-trimethoxyphenyl)carboxamide
Database identifiers
- CAS
4129-98-0、740-12-5- PubChem CID
- 12924
- DTXSID
DTXSID40224788- EC Number
- 662-442-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 387.7 · 387.7±42.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.70(Predicted)
- 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
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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