(2Z)-4-(Ethylamino)-4-oxo-2-butenoic acid
Basic information
- CAS
128438-93-7- Standard SMILES
CCNC(=O)/C=C\C(=O)O- InChIKey
HBQGCOWNLUOCBU-ARJAWSKDSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Overview
structure in first source
Names & identifiers
- Preferred name
- (2Z)-4-(Ethylamino)-4-oxo-2-butenoic acid
- IUPAC
- (Z)-4-(ethylamino)-4-oxobut-2-enoic acid
- English name
- N-Ethylmaleamic acid
- Molecular formula
- C6H9NO3
- Molecular weight
- 143.14
Names & synonyms
N-Ethylmaleamic acid4166-67-02-Butenoic acid, 4-(ethylamino)-4-oxo-, (2Z)-(2Z)-4-(ethylamino)-4-oxo-2-butenoic acidNSC-92548Z8Z9J3VL2JDTXSID80883737RefChem:207254DTXCID801023233224-021-1654-175-9(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
Show more names
4-(Ethylamino)-4-oxobut-2-enoic acid2-Butenoic acid, 4-(ethylamino)-4-oxo-
(2Z)-4-(ethylamino)-4-oxobut-2-enoic acid(2Z)-3-(N-ethylcarbamoyl)prop-2-enoic acidMaleic acid ethylamideMaleamic acid, N-ethyl-SCHEMBL1904335HBQGCOWNLUOCBU-ARJAWSKDSA-NNSC92548SBB028463
Database identifiers
- CAS
128438-93-7、4166-67-0- PubChem CID
- 5380356
- DTXSID
DTXSID80883737- UNII
- Z8Z9J3VL2J
- EC Number
- 224-021-1、654-175-9
- Nikkaji
- J224.972C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 131 · 131-134 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
- Boiling point
- 375 · 375.0±34.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (90.7%)
Skin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 4-(ethylamino)-4-oxo-, (2Z)-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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