2',5'-Dimethoxypropionanilide
Basic information
- CAS
154343-47-2- Standard SMILES
CCC(=O)Nc1cc(OC)ccc1OC- InChIKey
MMGJOLVHSCZNTA-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 2',5'-Dimethoxypropionanilide
- IUPAC
- N-(2,5-dimethoxyphenyl)propanamide
- English name
- 2',5'-Dimethoxypropionanilide
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
2',5'-DIMETHOXYPROPIONANILIDERefChem:439475668-937-3N-(2,5-dimethoxyphenyl)propanamide154343-47-2CBMicro_006889Oprea1_020576Oprea1_705800SCHEMBL6594370DTXSID40352631SMSF0008375STK026394
Show more names
Propanamide, N-(2,5-dimethoxyphenyl)-
AKOS000487530CB09223ST040435BIM-0006788.P001AN-329/13318001Z30943448
Database identifiers
- CAS
154343-47-2- PubChem CID
- 730454
- DTXSID
DTXSID40352631- EC Number
- 668-937-3
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 358.4 · 358.4±27.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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