Formula of SUCCINONITRILE (C4H4N2)
Identification of SUCCINONITRILE Chemical Compound
Chemical Formula | C4H4N2 |
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Molecular Weight | 80.08796 g/mol |
IUPAC Name | butanedinitrile |
SMILES String | N#CCCC#N |
InChI | InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 |
InChIKey | IAHFWCOBPZCAEA-UHFFFAOYSA-N |
Chemical Formula Description
The SUCCINONITRILE molecule contains a total of 10 atom(s). There are 4 Hydrogen atom(s), 4 Carbon atom(s), and 2 Nitrogen atom(s). A chemical formula of SUCCINONITRILE can therefore be written as:
C4H4N2
The chemical formula of SUCCINONITRILE shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying SUCCINONITRILE Molecule
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Structure Data File (SDF/MOL File) of SUCCINONITRILE
The structure data file (SDF/MOL File) of SUCCINONITRILE is available for download in the SDF page of SUCCINONITRILE providing the information about the atoms, bonds, connectivity and coordinates of SUCCINONITRILE, which is not completely available in the chemical formula representation. The SUCCINONITRILE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of SUCCINONITRILE
The chemical structure image of SUCCINONITRILE is available in chemical structure page of SUCCINONITRILE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of SUCCINONITRILE and the chemical bonds that hold the atoms together.
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Molecular weight of SUCCINONITRILE
The molecular weight of SUCCINONITRILE is available in molecular weight page of SUCCINONITRILE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of SUCCINONITRILE.
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InChI (IUPAC International Chemical Identifier) information of SUCCINONITRILE
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of SUCCINONITRILE is:
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
It can provide a standard way to encode the molecular information of SUCCINONITRILE 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 SUCCINONITRILE is:
InChIKey=IAHFWCOBPZCAEA-UHFFFAOYSA-N
The InChIKey may allow easier web searches for SUCCINONITRILE, but it needs to be linked to the full InChI to get back to the original structure of the SUCCINONITRILE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of SUCCINONITRILE
The SUCCINONITRILE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of SUCCINONITRILE including the registry numbers is given below, if available:
- BBV-34552768
- AR-1L5711
- 191362-21-7
- F0001-0221
- Q-201749
- I14-3315
- EN300-35675
- S0109
- Succinonitrile, purum, >=97.0% (GC)
- CAS-110-61-2
- RTR-034032
- MFCD00001949
- ANW-16173
- 1R479O92DO
- Jsp000810
- ETHYL, 1,2-DICYANO-
- Succinonitrile, 98% 100g
- ethane-1,2-dicarbonitrile
- NCCH2CH2CN
- Succinonitrile, 99%
- Ethane,2-dicyano-
- Dicyanoethane
- 1,2-dicyano-ethan
- sym-Dicyanoethane
- Sukcinonitril [Czech]
- USAF A-9442
- Ethane, 1,2-dicyano-
- Sukcinonitril
- Succinic acid dinitrile
- Succinic acid nitrile
- Succinic dinitrile
- 1,4-Butanedinitrile
- s-Dicyanoethane
- Suxil
- Evanex
- Succinil
- Disuxyl
- Ethylene dicyanide
- 1,2-Dicyanoethane
- Succinodinitrile
- Dinile
- Dician
- Ethylene cyanide
- Deprelin
- 110-61-2
- SUCCINONITRILE
SUCCINONITRILE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of SUCCINONITRILE? |
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C4H4N2 |
How many atoms and what are they in the SUCCINONITRILE structure? |
10 atom(s) - 4 Hydrogen atom(s), 4 Carbon atom(s), and 2 Nitrogen atom(s) |
How many chemical bonds and what are they in the SUCCINONITRILE structure? |
9 bond(s) - 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 triple bond(s), and 2 nitrile(s) (aliphatic) |
What’s the molecular weight of SUCCINONITRILE? |
80.08796 g/mol |
What’s the SMILES string of SUCCINONITRILE? |
N#CCCC#N |
What’s the InChI of SUCCINONITRILE? |
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 |
What’s the InChIKey of SUCCINONITRILE? |
IAHFWCOBPZCAEA-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).