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Molecule
N-(3-Aminopropyl)Methacrylamide Hydrochloride
CAS: 72607-53-5 · C7H15ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 72607-53-5
- Molecular Formula
- C7H15ClN2O
- Molecular Mass
- 178.66 g/mol
Identifiers
CAS Registry Number
72607-53-5
SMILES
C=C(C)C(O)=NCCCN.Cl
InChI Key
XHIRWEVPYCTARV-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H
Names and Synonyms
- N-(3-Aminopropyl)Methacrylamide Hydrochloride Synonym
- 2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1) Synonym
- 2-Propenamide, N-(3-aminopropyl)-2-methyl-, monohydrochloride Synonym
- N-(3-Aminopropyl)methacrylamide monohydrochloride Synonym
- 3-Methacrylamidopropylammonium chloride Synonym
- N-(3-Aminopropyl)methacrylamide hydrochloride Synonym
- 3-Aminopropylmethacrylamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.66 g/mol | CAS Common Chemistry |
| 178.66299999999998 g/mol | RDKit | |
| 178.663 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NCCCN)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H | CAS Common Chemistry |
| InChI Key | InChIKey=XHIRWEVPYCTARV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(3-Aminopropyl)methacrylamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.2896 | RDKit |
| Molar Refractivity | 50.66420000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 178.08729078 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 178.66 g/mol. Edit any field — others recompute live.
