Molecular Weight of Piperidine,1-(2-buten-1-yl)- (C9H17N)
Identification of Piperidine,1-(2-buten-1-yl)- Chemical Compound
| Chemical Formula | C9H17N |
|---|---|
| Molecular Weight | 139.23798 g/mol |
| IUPAC Name | 1-(but-2-en-1-yl)piperidine |
| SMILES String | CC=CCN1CCCCC1 |
| InChI | InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3 |
| InChIKey | XQOHGUZOLKLXLU-UHFFFAOYSA-N |
Molecular Weight Description
The Piperidine,1-(2-buten-1-yl)- molecule consists of 17 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) - a total of 27 atom(s). The molecular weight of Piperidine,1-(2-buten-1-yl)- is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 139.23798 · \frac{g}{mol} $$
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 Piperidine,1-(2-buten-1-yl)- Molecule
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Structure Data File (SDF/MOL File) of Piperidine,1-(2-buten-1-yl)-
The structure data file (SDF/MOL File) of Piperidine,1-(2-buten-1-yl)- is available for download in the SDF page of Piperidine,1-(2-buten-1-yl)-, which provides the information on atoms, bonds, connectivity and coordinates of Piperidine,1-(2-buten-1-yl)-. The Piperidine,1-(2-buten-1-yl)- 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 Piperidine,1-(2-buten-1-yl)-
The molecular structure image of Piperidine,1-(2-buten-1-yl)- is available in chemical structure page of Piperidine,1-(2-buten-1-yl)-, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Piperidine,1-(2-buten-1-yl)- and the chemical bonds that hold the atoms together.
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Chemical formula of Piperidine,1-(2-buten-1-yl)-
The molecular formula of Piperidine,1-(2-buten-1-yl)- is given in chemical formula page of Piperidine,1-(2-buten-1-yl)-, 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 Piperidine,1-(2-buten-1-yl)-
In addition to the molecular weight information, the structural information of Piperidine,1-(2-buten-1-yl)- in a textual expression is available via InChi. The full standard InChI of Piperidine,1-(2-buten-1-yl)- is given below:
InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3
It can provide a way to encode the molecular information of Piperidine,1-(2-buten-1-yl)- 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 Piperidine,1-(2-buten-1-yl)- is:
InChIKey=XQOHGUZOLKLXLU-UHFFFAOYSA-N
It may allow easier web searches for Piperidine,1-(2-buten-1-yl)-. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Piperidine,1-(2-buten-1-yl)- as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Piperidine,1-(2-buten-1-yl)-
There may be different names of the Piperidine,1-(2-buten-1-yl)- compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Piperidine,1-(2-buten-1-yl)-
Piperidine,1-(2-buten-1-yl)- Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Piperidine,1-(2-buten-1-yl)-? |
|---|
| C9H17N |
| How many atoms and what are the elements in the Piperidine,1-(2-buten-1-yl)- molecule? |
| 27 atom(s) - 17 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what types of bonds are in the Piperidine,1-(2-buten-1-yl)- structure? |
| 27 bond(s) - 10 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), and 1 tertiary amine(s) (aliphatic) |
| What’s the molar mass of Piperidine,1-(2-buten-1-yl)-? |
| 139.23798 g/mol |
| What’s the SMILES format of Piperidine,1-(2-buten-1-yl)-? |
| CC=CCN1CCCCC1 |
| What’s the InChI format of Piperidine,1-(2-buten-1-yl)-? |
| InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3 |
| What’s the InChIKey string of Piperidine,1-(2-buten-1-yl)-? |
| XQOHGUZOLKLXLU-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).