Basic information
- CAS
86489-64-7- Standard SMILES
COc1ccc(C(=O)NCc2ccccc2)cc1OC- InChIKey
MKWVXVLEKSXJMR-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- N-benzyl-3,4-dimethoxybenzamide
- IUPAC
- N-benzyl-3,4-dimethoxybenzamide
Names & synonyms
N-benzyl-3,4-dimethoxybenzamide86489-64-7Oprea1_211388CHEMBL475875SCHEMBL15876323SCHEMBL28859140HMS1580J20STK004949AKOS001026298ST042970(3,4-dimethoxyphenyl)-N-benzylcarboxamideDB-173005
Show more names
Z27749676
Database identifiers
- CAS
86489-64-7- PubChem CID
- 669342
- ChEMBL
CHEMBL475875- EC Number
- 146-220-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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