Molecular Weight of CINCHONIDINE (C19H22N2O)
Identification of CINCHONIDINE Chemical Compound
Chemical Formula | C19H22N2O |
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Molecular Weight | 294.39078 g/mol |
IUPAC Name | (R)-[(4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol |
SMILES String | OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34 |
InChI | InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18?,19+/m0/s1 |
InChIKey | KMPWYEUPVWOPIM-CZHSWUJBSA-N |
Molecular Weight Description
The CINCHONIDINE molecule consists of 22 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 44 atom(s). The molecular weight of CINCHONIDINE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 294.39078 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying CINCHONIDINE Molecule
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Structure Data File (SDF/MOL File) of CINCHONIDINE
The structure data file (SDF/MOL File) of CINCHONIDINE is available for download in the SDF page of CINCHONIDINE, which provides the information on atoms, bonds, connectivity and coordinates of CINCHONIDINE. The CINCHONIDINE 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 CINCHONIDINE
The molecular structure image of CINCHONIDINE is available in chemical structure page of CINCHONIDINE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in CINCHONIDINE and the chemical bonds that hold the atoms together.
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Chemical formula of CINCHONIDINE
The molecular formula of CINCHONIDINE is given in chemical formula page of CINCHONIDINE, 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 CINCHONIDINE
In addition to the molecular weight information, the structural information of CINCHONIDINE in a textual expression is available via InChi. The full standard InChI of CINCHONIDINE is given below:
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18?,19+/m0/s1
It can provide a way to encode the molecular information of CINCHONIDINE 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 CINCHONIDINE is:
InChIKey=KMPWYEUPVWOPIM-CZHSWUJBSA-N
It may allow easier web searches for CINCHONIDINE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the CINCHONIDINE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of CINCHONIDINE
There may be different names of the CINCHONIDINE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 485-71-2
- CINCHONIDINE
CINCHONIDINE Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of CINCHONIDINE? |
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C19H22N2O |
How many atoms and what are the elements in the CINCHONIDINE molecule? |
44 atom(s) - 22 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the CINCHONIDINE structure? |
47 bond(s) - 25 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 Pyridine(s) |
What’s the molar mass of CINCHONIDINE? |
294.39078 g/mol |
What’s the SMILES format of CINCHONIDINE? |
OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34 |
What’s the InChI format of CINCHONIDINE? |
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18?,19+/m0/s1 |
What’s the InChIKey string of CINCHONIDINE? |
KMPWYEUPVWOPIM-CZHSWUJBSA-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).