4-(Morpholin-4-yl)-4-oxobut-2-enoic acid
Basic information
- CAS
90090-50-9- Standard SMILES
O=C(O)/C=C/C(=O)N1CCOCC1- InChIKey
FCTFTKXWJQFGLI-UHFFFAOYSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Names & identifiers
- Preferred name
- 4-(Morpholin-4-yl)-4-oxobut-2-enoic acid
- IUPAC
- (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
- English name
- 2-Butenoic acid, 4-(4-morpholinyl)-4-oxo-
- Molecular formula
- C8H11NO4
- Molecular weight
- 185.18
Names & synonyms
4-(morpholin-4-yl)-4-oxobut-2-enoic acid90090-50-9167113-72-6(2E)-4-(morpholin-4-yl)-4-oxobut-2-enoic acid(2E)-4-morpholin-4-yl-4-oxobut-2-enoic acid(E)-4-Morpholino-4-oxobut-2-enoic acidZINC39717(E)-4-morpholin-4-yl-4-oxobut-2-enoic acidMFCD00224188NSC22411SCHEMBL31500759HMS1748K09
Show more names
2-Butenoic acid, 4-(4-morpholinyl)-4-oxo-
C1COCCN1C(=O)C=CC(=O)OO=C(N1CCOCC1)C=CC(=O)ONSC-22411STK0558224MORPHOLIN4YL4OXOBUT2ENOICACIDAKOS000263890NCGC00666216-01(E)4MORPHOLIN4YL4OXOBUT2ENOICACID
Database identifiers
- CAS
90090-50-9- PubChem CID
- 676533
- EC Number
- 154-186-4
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 434.6 · 434.6±45.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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.
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
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Compound notes
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