4-Oxo-4-((3-(triethoxysilyl)propyl)amino)-2-butenoic acid
Basic information
- CAS
33525-68-7- Standard SMILES
CCO[Si](CCCNC(=O)/C=C/C(=O)O)(OCC)OCC- InChIKey
YSIBYEBNVMDAPN-CMDGGOBGSA-N- Molecular formula
- C13H25NO6Si
- Average molar mass
- 319.43 g/mol
- Monoisotopic mass
- 319.14511405
Names & identifiers
- Preferred name
- 4-Oxo-4-((3-(triethoxysilyl)propyl)amino)-2-butenoic acid
- IUPAC
- (E)-4-oxo-4-(3-triethoxysilylpropylamino)but-2-enoic acid
- English name
- Triethoxysilylpropylmaleamic acid
- Molecular formula
- C13H25NO6Si
- Molecular weight
- 319.43
Names & synonyms
4-Oxo-4-((3-(triethoxysilyl)propyl)amino)-2-butenoic acidEINECS 256-604-14-oxo-4-[[3-(triethoxysilyl)propyl]amino]-2-butenoic acid50488-14-7RefChem:100259251-564-1256-604-133525-68-7(2Z)-4-Oxo-4-[[3-(triethoxysilyl)propyl]amino]-2-butenoic acidtriethoxysilylpropylmaleamic acidEINECS 251-564-1(E)-4-oxo-4-(3-triethoxysilylpropylamino)but-2-enoic acid
Show more names
DKSI090TriethoxDKFELEX0282Triethoxysilylpropylmaleic acidTRIETHOXYSILYLPROPLMALEAMIC ACIDTRIETHOXYSILYLPROPYLMALEAMIC ACID, tech-90N-(3-TRIETHOXYSILYLPROPYL)MALEIC MONOAMIDEN-[3-(Triethoxysilyl)propyl]maleamidic acidN-[3-(Trimethoxysilyl)-propyl]-maleamic acid
SCHEMBL23289096YSIBYEBNVMDAPN-CMDGGOBGSA-N(e)-butenedioic acid 3-(triethoxysilyl)propyl-amide4-Oxo-4-((3-(triethoxysilyl)propyl)amino)-2-butenoic acid (Z)-
Database identifiers
- CAS
33525-68-7、50488-14-7- PubChem CID
- 6197818
- EC Number
- 251-564-1、256-604-1
- Nikkaji
- J261.529K
Properties
Computed structural properties
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 439.5 · 439.5±45.0 °C(Predicted)
- Density
- 1 · 1,11 g/cm3
- refractive index
- 1.472 · 1.472
- Flash point
- 65 °C · >65°C
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.92 · 2.92±0.25(Predicted)
- Specific Gravity
- 1.11 · 1.11
- Appearance
- Off-white to light yellow Solid
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 4-oxo-4-[[3-(triethoxysilyl)propyl]amino]-, (2Z)- (33525-68-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 4-oxo-4-[[3-(triethoxysilyl)propyl]amino]-, (2Z)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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