N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium
Basic information
- CAS
20284-79-1- Standard SMILES
CC(C)=CC(=O)OCC[N+](C)(C)C- InChIKey
VPXGYWMXCNLDKD-UHFFFAOYSA-N- Molecular formula
- C10H20NO2+
- Average molar mass
- 186.27 g/mol
- Monoisotopic mass
- 186.14940388
Overview
structure of tigloylcholine in first source
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium
- IUPAC
- trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium
- English name
- senecioylcholine
- Molecular weight
- 0
Names & synonyms
SenecioylcholineTigloylcholine20284-79-1A9VSS6M7GDbeta,beta-DimethacryloylcholineNSC-247529DTXSID30174147N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-butenyl)oxy)ethanaminiumN,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminiumN,N,N-Trimethyl-2-[(3-methyl-1-oxo-2-buten-1-yl)oxy]ethanaminiumRefChem:926445DTXCID1096638
Show more names
NSC 247529UNII-A9VSS6M7GDSCHEMBL26034796NSC247529N,N,N-Trimethyl-2-[(3-methylbut-2-enoyl)oxy]ethan-1-aminiumEthanaminium, N,N,N-trimethyl-2-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-
Database identifiers
- CAS
20284-79-1- PubChem CID
- 429095
- DTXSID
DTXSID30174147- UNII
- A9VSS6M7GD
- Nikkaji
- J726.395C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 197
Physicochemical properties
- FDA UNII
- 9 VSS6M7GD · A9VSS6M7GD
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Related reactions
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Compound notes
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