SDF/Mol File of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane (C10H24N2O2)
Identification of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane Chemical Compound
Chemical Formula | C10H24N2O2 |
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Molecular Weight | 204.30976 g/mol |
IUPAC Name | [(2R,3R)-4-(dimethylamino)-2,3-dimethoxybutyl]dimethylamine |
SMILES String | COC(CN(C)C)C(CN(C)C)OC |
InChI | InChI=1S/C10H24N2O2/c1-11(2)7-9(13-5)10(14-6)8-12(3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1 |
InChIKey | VYQCQNCBTMHEFI-NXEZZACHSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane Molecule
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Chemical structure of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane is available in chemical structure page of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane, 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
The molecular weight of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane is available in molecular weight page of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane, 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
The chemical formula of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane is given in chemical formula page of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane, 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane is:
InChI=1S/C10H24N2O2/c1-11(2)7-9(13-5)10(14-6)8-12(3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
It can provide a standard way to encode the molecular information of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane 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 (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane is:
InChIKey=VYQCQNCBTMHEFI-NXEZZACHSA-N
The InChIKey may allow easier web searches for (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane, but it needs to be linked to the full InChI to get back to the original structure of the (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
The (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane including the registry numbers are listed below, if available:
- (R,R)-(-)-2,3-Dimethoxy-N,N,N',N'-tetramethyl-1,4-butanediamine
- (2R,3R)-2,3-dimethoxy-N,N,N',N'-tetramethylbutane-1,4-diamine
- (2R,3R)-2,3-Dimethoxy-N,N,N',N'-tetramethyl-1,4-butanediamine
- (R,R)-(-)-2,3-Dimethoxy-1,4-bis-(dimethylamino)butane
- D2395
- MFCD00008331
- ANW-26019
- (R,R)-(-)-DDB
- (2R,3R)-2,3-Dimethoxy-N1,N1,N4,N4-tetramethylbutane-1,4-diamine
- (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane
- 26549-22-4
(R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane Identification Summary Frequently Asked Questions (FAQs)
What’s the (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane formula? |
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C10H24N2O2 |
How many atoms and what elements are included in the (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane molecule? |
38 atom(s) - 24 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane structure? |
37 bond(s) - 13 non-H bond(s), 7 rotatable bond(s), 2 tertiary amine(s) (aliphatic), and 2 ether(s) (aliphatic) |
What’s the (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane’s molar mass? |
204.30976 g/mol |
What’s the SMILES structure of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane? |
COC(CN(C)C)C(CN(C)C)OC |
What’s the InChI code of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane? |
InChI=1S/C10H24N2O2/c1-11(2)7-9(13-5)10(14-6)8-12(3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1 |
What’s the InChIKey format of (R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane? |
VYQCQNCBTMHEFI-NXEZZACHSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).