Basic information
- CAS
67596-04-7- Standard SMILES
C=C(C)C(=O)OCC[N+](C)(C)CC(O)CCl.O=[N+]([O-])[O-]- InChIKey
PBTJSEJAYNNNMM-UHFFFAOYSA-N- Molecular formula
- C11H21ClNO3.NO3
- Average molar mass
- 312.75 g/mol
- Monoisotopic mass
- 312.10881407
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)
- IUPAC
- (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium nitrate
- English name
- (3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
- Molecular formula
- C11H21ClN2O6
- Molecular weight
- 312.74724
Names & synonyms
67596-04-7EINECS 266-750-8(2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrateDTXSID40886840(2-Hydroxy-3-chloropropyl)(methacryloxyethyl)dimethylammonium nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl)-, nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1)RefChem:77087DTXCID901026159PBTJSEJAYNNNMM-UHFFFAOYSA-NNS00088453
Show more names
(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
(3-Chloro-2-hydroxypropyl)dimethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium nitrate3-Chloro-2-hydroxy-N,N-dimethyl-N-{2-[(2-methylprop-2-enoyl)oxy]ethyl}propan-1-aminium nitrate
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- EPA Substance Registry System
- (2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrate (67596-04-7)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-, nitrate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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