Basic information
- CAS
4043-16-7- Standard SMILES
CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
AQPQLPPTJUCUBX-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Overview
See also: 4'-Ethoxy-3,4,5-trimethoxybenzanilide (annotation moved to).
Names & identifiers
- Preferred name
- N-(4-ethoxyphenyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(4-ethoxyphenyl)-3,4,5-trimethoxybenzamide
- English name
- 4'-Ethoxy-3,4,5-trimethoxybenzanilide
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.36
Names & synonyms
N-(4-ethoxyphenyl)-3,4,5-trimethoxybenzamide4043-16-7NSC22807Oprea1_724230DTXSID70960824NSC-22807STK413093AKOS001030429DS-009798EU-0003068ST50554373AO-548/40675106
Show more names
4'-Ethoxy-3,4,5-trimethoxybenzanilide4'-Ethoxy-3,4,5-trimethoxybenzanilideBenzamide, N-(4-ethoxyphenyl)-3,4,5-trimethoxy-
Benzamide,n-(4-ethoxyphenyl)-3,4,5-trimethoxy-SR-01000415631SR-01000415631-1Z27808055N-(4-ethoxyphenyl)(3,4,5-trimethoxyphenyl)carboxamide
Database identifiers
- CAS
4043-16-7- PubChem CID
- 229286
- DTXSID
DTXSID70960824
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 87 °C · 87 °C(Solv: methanol (67-56-1))
- Boiling point
- 426.1 · 426.1±45.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 12.29 · 12.29±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.
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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