Molecular Weight of Obazolin MHS-121 (C22H46N2O5S)
Identification of Obazolin MHS-121 Chemical Compound
| Chemical Formula | C22H46N2O5S |
|---|---|
| Molecular Weight | 450.67604 g/mol |
| IUPAC Name | 3-[dimethyl(3-tetradecanamidopropyl)azaniumyl]-2-hydroxypropane-1-sulfonate |
| SMILES String | CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O |
| InChI | InChI=1S/C22H46N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-16-22(26)23-17-15-18-24(2,3)19-21(25)20-30(27,28)29/h21,25H,4-20H2,1-3H3,(H-,23,26,27,28,29) |
| InChIKey | QDDVYXATFUPZBK-UHFFFAOYSA-N |
Molecular Weight Description
The Obazolin MHS-121 molecule consists of 46 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 76 atom(s). The molecular weight of Obazolin MHS-121 is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 450.67604 · \frac{g}{mol} $$
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.
Search Another Molecular Weight
Enter another compound to search for molecular weight:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying Obazolin MHS-121 Molecule
-
Structure Data File (SDF/MOL File) of Obazolin MHS-121
The structure data file (SDF/MOL File) of Obazolin MHS-121 is available for download in the SDF page of Obazolin MHS-121, which provides the information on atoms, bonds, connectivity and coordinates of Obazolin MHS-121. The Obazolin MHS-121 structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
-
Chemical structure of Obazolin MHS-121
The molecular structure image of Obazolin MHS-121 is available in chemical structure page of Obazolin MHS-121, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Obazolin MHS-121 and the chemical bonds that hold the atoms together.
-
Chemical formula of Obazolin MHS-121
The molecular formula of Obazolin MHS-121 is given in chemical formula page of Obazolin MHS-121, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
InChI (IUPAC International Chemical Identifier) information of Obazolin MHS-121
In addition to the molecular weight information, the structural information of Obazolin MHS-121 in a textual expression is available via InChi. The full standard InChI of Obazolin MHS-121 is given below:
InChI=1S/C22H46N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-16-22(26)23-17-15-18-24(2,3)19-21(25)20-30(27,28)29/h21,25H,4-20H2,1-3H3,(H-,23,26,27,28,29)
It can provide a way to encode the molecular information of Obazolin MHS-121 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 Obazolin MHS-121 is:
InChIKey=QDDVYXATFUPZBK-UHFFFAOYSA-N
It may allow easier web searches for Obazolin MHS-121. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Obazolin MHS-121 as the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of Obazolin MHS-121
There may be different names of the Obazolin MHS-121 compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 3-[DIMETHYL(3-TETRADECANAMIDOPROPYL)AMMONIO]-2-HYDROXYPROPANE-1-SULFONATE
- 63663-10-5
- 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(3-((1-oxotetradecyl)amino)propyl)-3-sulfo-, inner salt
- Myristamidopropyl hydroxysultaine
- ASB 14O
- Obazolin MHS-121
Obazolin MHS-121 Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Obazolin MHS-121? |
|---|
| C22H46N2O5S |
| How many atoms and what are the elements in the Obazolin MHS-121 molecule? |
| 76 atom(s) - 46 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the Obazolin MHS-121 structure? |
| 75 bond(s) - 29 non-H bond(s), 3 multiple bond(s), 20 rotatable bond(s), 3 double bond(s), 1 secondary amide(s) (aliphatic), 1 positively charged N, 1 quaternary N, 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 sulfonate(s) (thio-/dithio-) |
| What’s the molar mass of Obazolin MHS-121? |
| 450.67604 g/mol |
| What’s the SMILES format of Obazolin MHS-121? |
| CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O |
| What’s the InChI format of Obazolin MHS-121? |
| InChI=1S/C22H46N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-16-22(26)23-17-15-18-24(2,3)19-21(25)20-30(27,28)29/h21,25H,4-20H2,1-3H3,(H-,23,26,27,28,29) |
| What’s the InChIKey string of Obazolin MHS-121? |
| QDDVYXATFUPZBK-UHFFFAOYSA-N |
204
The contents of this page can freely be shared if cited as follows:
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).