(2E,4E)-5-(4-(dimethylamino)phenyl)penta-2,4-dienal
Basic information
- CAS
20432-36-4- Standard SMILES
CN(C)c1ccc(/C=C/C=C/C=O)cc1- InChIKey
JYHAOJGBXVCDOC-GGWOSOGESA-N- Molecular formula
- C13H15NO
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.1153641
Names & identifiers
- Preferred name
- (2E,4E)-5-(4-(dimethylamino)phenyl)penta-2,4-dienal
- IUPAC
- (2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienal
- English name
- trans,trans-5-(4-(Dimethylamino)phenyl)- 2,4-pentadienal, 99
- Molecular formula
- C13H15NO
- Molecular weight
- 201.26
Names & synonyms
20432-36-4(2E,4E)-5-(4-(Dimethylamino)phenyl)penta-2,4-dienal(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienalRefChem:396679857-299-3MFCD00011579TRANS,TRANS-5-(4-(DIMETHYLAMINO)PHENYL)- 2,4-PENTADIENAL, 995-[4-(dimethylamino)phenyl]penta-2,4-dienal83073-86-35-(4-(Dimethylamino)phenyl)penta-2,4-dienalSCHEMBL1044097SCHEMBL6542289
Show more names
(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-die nal2,4-Pentadienal, 5-[4-(dimethylamino)phenyl]-, (2E,4E)-
(2E,4E)-5-[p-(Dimethylamino)phenyl]-2,4-pentadienaltrans,trans-5-[4-(Dimethylamino)phenyl]-2,4-pentadienalAKOS006227671BS-50079DB-309424F72651EN300-9248475trans,trans-5-(4-(dimethylamino)phenyl)-2,4-penta
Database identifiers
- CAS
20432-36-4- PubChem CID
- 6004359
- EC Number
- 857-299-3
- Nikkaji
- J307.739J、J823.183D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 155 · 155-156 °C(lit.)
- Boiling point
- 375.9 · 375.9±35.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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