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Molecule
[3-(Methacryloylamino)Propyl]Trimethylammonium Chloride
CAS: 51410-72-1 · C10H21ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51410-72-1
- Molecular Formula
- C10H21ClN2O
- Molecular Mass
- 220.74 g/mol
Identifiers
CAS Registry Number
51410-72-1
SMILES
C=C(C)C([O-])=NCCC[N+](C)(C)C.Cl
InChI Key
UZNHKBFIBYXPDV-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
Names and Synonyms
- [3-(Methacryloylamino)Propyl]Trimethylammonium Chloride Common Name
- 1-Propanaminium, N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, chloride (1:1) Synonym
- 1-Propanaminium, N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propenyl)amino]-, chloride Synonym
- (3-Methacrylamidopropyl)trimethylammonium chloride Synonym
- Trimethyl(3-methacrylamidopropyl)ammonium chloride Synonym
- 3-(N-Methacryloyl)aminopropyltrimethylammonium chloride Synonym
- [3-(Methacryloylamino)propyl]trimethylammonium chloride Synonym
- MAPTAC Synonym
- Quatamine MA Synonym
- Methacryloylaminopropyltrimethylammonium chloride Synonym
- [3-[(2-Methyl-1-oxo-2-propenyl)amino]propyl]-N,N,N-trimethylammonium chloride Synonym
- N,N,N-Trimethyl-3-((2-methyl-1-oxo-2-propenyl)amino)-1-propyl ammonium chloride Synonym
- 3-Methacrylamido-N,N,N-trimethylpropan-1-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.74 g/mol | CAS Common Chemistry |
| 220.744 g/mol | RDKit | |
| 220.741 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O=C(NCCC[N+](C)(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UZNHKBFIBYXPDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [3-(Methacryloylamino)propyl]trimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.42 Ų | RDKit |
| 33.59 Ų | chempirical lib | |
| LogP | 0.8393999999999997 | RDKit |
| 0.8394 | RDKit | |
| Molar Refractivity | 61.88040000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 220.134240972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 220.74 g/mol. Edit any field — others recompute live.
