1-(Dimethylamino)-4-(4-methylphenoxy)pent-1-en-3-one
Basic information
- CAS
477864-99-6- Standard SMILES
Cc1ccc(OC(C)C(=O)C=CN(C)C)cc1- InChIKey
JPRORLRLNDTXLH-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 1-(Dimethylamino)-4-(4-methylphenoxy)pent-1-en-3-one
- IUPAC
- 1-(dimethylamino)-4-(4-methylphenoxy)pent-1-en-3-one
- English name
- 1-(Dimethylamino)-4-(4-methylphenoxy)-1-penten-3-one
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
1-(dimethylamino)-4-(4-methylphenoxy)pent-1-en-3-one1-(Dimethylamino)-4-(p-tolyloxy)pent-1-en-3-oneDTXSID501219639AKOS0302440221-(Dimethylamino)-4-(4-methylphenoxy)-1-penten-3-one1-Penten-3-one, 1-(dimethylamino)-4-(4-methylphenoxy)-(1E)-1-(Dimethylamino)-4-(4-methylphenoxy)pent-1-en-3-one
Database identifiers
- CAS
477864-99-6- PubChem CID
- 3722802
- DTXSID
DTXSID501219639
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2922500090 · 2922500090
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
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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