SDF/Mol File of N,N-Dimethylformamide dimethyl acetal (C5H13NO2)
Identification of N,N-Dimethylformamide dimethyl acetal Chemical Compound
Chemical Formula | C5H13NO2 |
---|---|
Molecular Weight | 119.16222 g/mol |
IUPAC Name | (dimethoxymethyl)dimethylamine |
SMILES String | COC(OC)N(C)C |
InChI | InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3 |
InChIKey | ZSXGLVDWWRXATF-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N,N-Dimethylformamide dimethyl acetal 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 N,N-Dimethylformamide dimethyl acetal 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.
chemical table area
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
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 N,N-Dimethylformamide dimethyl acetal Molecule
-
Chemical structure of N,N-Dimethylformamide dimethyl acetal
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N,N-Dimethylformamide dimethyl acetal is available in chemical structure page of N,N-Dimethylformamide dimethyl acetal, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
-
Molecular weight of N,N-Dimethylformamide dimethyl acetal
The molecular weight of N,N-Dimethylformamide dimethyl acetal is available in molecular weight page of N,N-Dimethylformamide dimethyl acetal, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
-
Chemical formula of N,N-Dimethylformamide dimethyl acetal
The chemical formula of N,N-Dimethylformamide dimethyl acetal is given in chemical formula page of N,N-Dimethylformamide dimethyl acetal, 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 N,N-Dimethylformamide dimethyl acetal
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N,N-Dimethylformamide dimethyl acetal is:
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
It can provide a standard way to encode the molecular information of N,N-Dimethylformamide dimethyl acetal 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 N,N-Dimethylformamide dimethyl acetal is:
InChIKey=ZSXGLVDWWRXATF-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N,N-Dimethylformamide dimethyl acetal, but it needs to be linked to the full InChI to get back to the original structure of the N,N-Dimethylformamide dimethyl acetal since the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of N,N-Dimethylformamide dimethyl acetal
The N,N-Dimethylformamide dimethyl acetal compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N,N-Dimethylformamide dimethyl acetal including the registry numbers are listed below, if available:
- C-00753
- BBV-75779144
- AR-1B4648
- KST-1B4534
- N,N-Dimethylformamide dimethyl acetal, technical grade, 94%
- N,N-Dimethylformamide dimethyl acetal, for GC derivatization
- F0001-1254
- Q-100488
- I14-0772
- K-9075
- D2071
- D1332
- D1293
- N,N'-Dimethyl formamide dimethyl acetal
- 1,1-Dimethoxy-N,N-dimethylmethaneamine
- 1,1-Dimethoxy-N,N-dimethyl-methylamine
- 1,1-dimethoxy-N,N-dimethyl methanamine
- RTC-030437
- N,N-dimethyl-formamide dimethyl acetal
- N,N-dimethyl formamide dimethyl acetal
- N,N dimethyl formamide dimethyl acetal
- N, N-dimethylformamide dimethyl acetal
- N,N-dimethylformamide-dimethyl acetal
- N,N dimethylformamide dimethyl acetal
- ANW-30436
- Dimethoxy-N,N-dimethylmethanamine #
- N,N-Dimethylformamide dimethylacetal
- (1,1-dimethoxymethyl)dimethylamine
- dimethoxy-N,N-dimethyl-methanamine
- dimethyl-formamide dimethyl acetal
- dimethyl formamide-dimethyl acetal
- dimethyl formamide dimethyl acetal
- Dimethoxy-N,N-dimethylmethanamine
- N-(Dimethoxymethyl)dimethylamine
- dimethylformamide-dimethyl acetal
- N-(Dimethoxymethyl)dimethylamin
- dimetylformamide dimethyl acetal
- dimethylformamide dimetyl acetal
- dimethoxy-dimethylamino-methane
- dimethoxymethyl-dimethyl-amine
- dimethoxymethyl-dimethyl amine
- dimethoxymethyl dimethyl-amine
- dimethoxymethyl-dimethylamine
- dimethoxymethyldimethylamine
- DMF-DMA
- DMFDMA, Redistilled
- 92260-27-0
- 1,1-dimethoxy-n,n-dimethylmethanamin
- N,N-dimethyl for mamide dimethyl acctel
- 1,1-dimethoxy-N,N-dimethyl-methanamine
- N.N-dimethylformamide dimethyl acetal
- MFCD00008482
- N,N-Dimethylformamidedimethylacetal
- 1,1-Dimethoxy-N,N-dimethylmethylamine
- Trimethylamine, 1,1-dimethoxy-
- DMF Dimethyl acetal
- Dimethoxy(dimethylamino)methane
- Dimethylformamide dimethyl acetal
- Dimethylformamide-dimethylacetal
- DMFDMA
- Methanamine, 1,1-dimethoxy-N,N-dimethyl-
- 1,1-Dimethoxytrimethylamine
- 1,1-dimethoxy-N,N-dimethylmethanamine
- 4637-24-5
- N,N-Dimethylformamide dimethyl acetal
N,N-Dimethylformamide dimethyl acetal Identification Summary Frequently Asked Questions (FAQs)
What’s the N,N-Dimethylformamide dimethyl acetal formula? |
---|
C5H13NO2 |
How many atoms and what elements are included in the N,N-Dimethylformamide dimethyl acetal molecule? |
21 atom(s) - 13 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the N,N-Dimethylformamide dimethyl acetal structure? |
20 bond(s) - 7 non-H bond(s), 3 rotatable bond(s), 1 tertiary amine(s) (aliphatic), and 2 ether(s) (aliphatic) |
What’s the N,N-Dimethylformamide dimethyl acetal’s molar mass? |
119.16222 g/mol |
What’s the SMILES structure of N,N-Dimethylformamide dimethyl acetal? |
COC(OC)N(C)C |
What’s the InChI code of N,N-Dimethylformamide dimethyl acetal? |
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3 |
What’s the InChIKey format of N,N-Dimethylformamide dimethyl acetal? |
ZSXGLVDWWRXATF-UHFFFAOYSA-N |
285
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).