SDF/Mol File of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE (C14H32N2O5)
Identification of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE Chemical Compound
Chemical Formula | C14H32N2O5 |
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Molecular Weight | 308.41428 g/mol |
IUPAC Name | 4,7,10,13,16-pentaoxanonadecane-1,19-diamine |
SMILES String | NCCCOCCOCCOCCOCCOCCCN |
InChI | InChI=1S/C14H32N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-16H2 |
InChIKey | ACQBZZRBYWWWTC-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Additional Information for Identifying 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE Molecule
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Chemical structure of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is available in chemical structure page of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
The molecular weight of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is available in molecular weight page of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
The chemical formula of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is given in chemical formula page of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE, 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 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is:
InChI=1S/C14H32N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-16H2
It can provide a standard way to encode the molecular information of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE 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 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE is:
InChIKey=ACQBZZRBYWWWTC-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE, but it needs to be linked to the full InChI to get back to the original structure of the 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
The 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE including the registry numbers are listed below, if available:
- 869308-34-9
- 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE
1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE Identification Summary Frequently Asked Questions (FAQs)
What’s the 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE formula? |
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C14H32N2O5 |
How many atoms and what elements are included in the 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE molecule? |
53 atom(s) - 32 Hydrogen atom(s), 14 Carbon atom(s), 2 Nitrogen atom(s), and 5 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE structure? |
52 bond(s) - 20 non-H bond(s), 18 rotatable bond(s), 2 primary amine(s) (aliphatic), and 5 ether(s) (aliphatic) |
What’s the 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE’s molar mass? |
308.41428 g/mol |
What’s the SMILES structure of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE? |
NCCCOCCOCCOCCOCCOCCCN |
What’s the InChI code of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE? |
InChI=1S/C14H32N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-16H2 |
What’s the InChIKey format of 1,19-DIAMINO-4,7,10,13,16-PENTAOXA-NONADECANE? |
ACQBZZRBYWWWTC-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).