Basic information
- CAS
127291-98-9- Standard SMILES
COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1- InChIKey
KHZREMOGHQWRLC-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-(3,5-Dimethylphenyl)-4-methoxybenzamide
- IUPAC
- N-(3,5-dimethylphenyl)-4-methoxybenzamide
- English name
- 4-Methoxy-N-(3,5-diMethylphenyl)benzaMide, 97%
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
N-(3,5-dimethylphenyl)-4-methoxybenzamide127291-98-9RefChem:361129starbld0006210Cambridge id 5350132Oprea1_711306Oprea1_728796CHEMBL1214631DTXSID801269788STK026890AKOS001214475ST010673
Show more names
Benzamide, N-(3,5-dimethylphenyl)-4-methoxy-4-Methoxy-N-(3,5-diMethylphenyl)benzaMide, 97%
4-Methoxy-N-(3,5-dimethylphenyl)benzamideAB00082149-01AK-968/11164934N-(3,5-dimethylphenyl)(4-methoxyphenyl)carboxamideZ30889723
Database identifiers
- CAS
127291-98-9- PubChem CID
- 710658
- DTXSID
DTXSID801269788- ChEMBL
CHEMBL1214631- EC Number
- 169-446-2
- Nikkaji
- J3.505.529K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 112 · 112-115 °C
- Boiling point
- 331.5 · 331.5±42.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 13 · 13+-.0.70(Predicted)
- CAS DataBase Reference
- 127291 · 127291-98-9
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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