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Molecule
Pheniramine Maleate
CAS: 132-20-7 · C20H24N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132-20-7
- Molecular Formula
- C20H24N2O4
- Molecular Mass
- 356.42 g/mol
Identifiers
CAS Registry Number
132-20-7
SMILES
CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI Key
SSOXZAQUVINQSA-BTJKTKAUSA-N
InChI
InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Names and Synonyms
- Pheniramine Maleate Common Name
- 2-Pyridinepropanamine, N,N-dimethyl-γ-phenyl-, (2Z)-2-butenedioate (1:1) Synonym
- Pyridine, 2-[α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1) Synonym
- Prophenpyridamine maleate Synonym
- 2-Pyridinepropanamine, N,N-dimethyl-γ-phenyl-, (Z)-2-butenedioate (1:1) Synonym
- Daneral Synonym
- 2-[α-[2-(Dimethylamino)ethyl]benzyl]pyridine bimaleate Synonym
- Pheniramine maleate Synonym
- 1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate Synonym
- Trimetose Synonym
- 1-Phenyl-1-(2-pyridyl)-3-dimethaminopropane maleinate Synonym
- Inhiston Synonym
- Metron Synonym
- PM 241 Synonym
- Pheniramine hydrogen maleate Synonym
- Naphcon A Synonym
- Trimeton Synonym
- Antolozine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.42 g/mol | CAS Common Chemistry |
| 356.42200000000014 g/mol | RDKit | |
| 356.422 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)O.N=1C=CC=CC1C(C=2C=CC=CC2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=SSOXZAQUVINQSA-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | Pheniramine maleate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 90.73 Ų | RDKit |
| 89.97 Ų | chempirical lib | |
| LogP | 2.877 | RDKit |
| 2.88 | chempirical lib | |
| Molar Refractivity | 100.10460000000008 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 356.17360724799994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 356.42 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H24N2O4.
