Molecular Weight of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone (C20H23NO)
Identification of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone Chemical Compound
| Chemical Formula | C20H23NO |
|---|---|
| Molecular Weight | 293.40272 g/mol |
| IUPAC Name | 1-({4-[(2,4-dimethylphenyl)carbonyl]phenyl}methyl)pyrrolidine |
| SMILES String | Cc3ccc(C(=O)c2ccc(CN1CCCC1)cc2)c(C)c3 |
| InChI | InChI=1S/C20H23NO/c1-15-5-10-19(16(2)13-15)20(22)18-8-6-17(7-9-18)14-21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3 |
| InChIKey | VEERZCKFXKOZSF-UHFFFAOYSA-N |
Molecular Weight Description
The 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone molecule consists of 23 Hydrogen atom(s), 20 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 45 atom(s). The molecular weight of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 293.40272 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone Molecule
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Structure Data File (SDF/MOL File) of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
The structure data file (SDF/MOL File) of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is available for download in the SDF page of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone, which provides the information on atoms, bonds, connectivity and coordinates of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone. The 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
The molecular structure image of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is available in chemical structure page of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone and the chemical bonds that hold the atoms together.
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Chemical formula of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
The molecular formula of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is given in chemical formula page of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
In addition to the molecular weight information, the structural information of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone in a textual expression is available via InChi. The full standard InChI of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is given below:
InChI=1S/C20H23NO/c1-15-5-10-19(16(2)13-15)20(22)18-8-6-17(7-9-18)14-21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3
It can provide a way to encode the molecular information of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone is:
InChIKey=VEERZCKFXKOZSF-UHFFFAOYSA-N
It may allow easier web searches for 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
There may be different names of the 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- (2,4-Dimethylphenyl){4-[(pyrrolidin-1-yl)methyl]phenyl}methanone
- 2,4-DIMETHYL-4'-PYRROLIDINOMETHYLBENZOPHENONE
- MFCD03841517
- 2,4-DIMETHYL-4'-PYRROLIDIN-1-YLMETHYLBENZOPHENONE
- 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone
- 898776-44-8
2,4-dimethyl-4'-pyrrolidinomethyl benzophenone Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone? |
|---|
| C20H23NO |
| How many atoms and what are the elements in the 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone molecule? |
| 45 atom(s) - 23 Hydrogen atom(s), 20 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone structure? |
| 47 bond(s) - 24 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s) |
| What’s the molar mass of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone? |
| 293.40272 g/mol |
| What’s the SMILES format of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone? |
| Cc3ccc(C(=O)c2ccc(CN1CCCC1)cc2)c(C)c3 |
| What’s the InChI format of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone? |
| InChI=1S/C20H23NO/c1-15-5-10-19(16(2)13-15)20(22)18-8-6-17(7-9-18)14-21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3 |
| What’s the InChIKey string of 2,4-dimethyl-4'-pyrrolidinomethyl benzophenone? |
| VEERZCKFXKOZSF-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).