Basic information
- CAS
304890-25-3- Standard SMILES
Cc1cc(Cl)ccc1OC(C)C(=O)NCC1CCCO1- InChIKey
TYGRIAGJNRUJDF-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO3
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1131712
Names & identifiers
- Preferred name
- 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
- IUPAC
- 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
- English name
- 2-(4-chloro-2-methylphenoxy)-N-(tetrahydro-2-furanylmethyl)propanamide
- Molecular formula
- C15H20ClNO3
- Molecular weight
- 297.78
Names & synonyms
2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide304890-25-32-(4-chloro-2-methylphenoxy)-N-(tetrahydro-2-furanylmethyl)propanamideCBMicro_030999Oprea1_416010Oprea1_630463AKOS000533508AKOS016391002ST031734BIM-0030947.P001EU-0070016AF-399/11787373
Show more names
Propanamide, 2-(4-chloro-2-methylphenoxy)-N-[(tetrahydro-2-furanyl)methyl]-
SR-01000419563SR-01000419563-1Z25630759
Database identifiers
- CAS
304890-25-3- PubChem CID
- 2867136
- EC Number
- 143-949-7
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 326
Physicochemical properties
- Boiling point
- 489.1 · 489.1±35.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.46(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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