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Formula of HEXANENITRILE (C6H11N)

Identification of HEXANENITRILE Chemical Compound

2D chemical structure image of HEXANENITRILE
Chemical Formula C6H11N
Molecular Weight 97.15824 g/mol
IUPAC Name hexanenitrile
SMILES String CCCCCC#N
InChI InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
InChIKey AILKHAQXUAOOFU-UHFFFAOYSA-N

Chemical Formula Description

The HEXANENITRILE molecule contains a total of 18 atom(s). There are 11 Hydrogen atom(s), 6 Carbon atom(s), and 1 Nitrogen atom(s). A chemical formula of HEXANENITRILE can therefore be written as:

C6H11N

The chemical formula of HEXANENITRILE 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.

3D chemical structure image of HEXANENITRILE
Ball-and-stick model of HEXANENITRILE

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Additional Information for Identifying HEXANENITRILE Molecule


  • InChI (IUPAC International Chemical Identifier) information of HEXANENITRILE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of HEXANENITRILE is:

    InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3

    It can provide a standard way to encode the molecular information of HEXANENITRILE 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 HEXANENITRILE is:

    InChIKey=AILKHAQXUAOOFU-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for HEXANENITRILE, but it needs to be linked to the full InChI to get back to the original structure of the HEXANENITRILE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of HEXANENITRILE

    The HEXANENITRILE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of HEXANENITRILE including the registry numbers is given below, if available:

    • I14-106895
    • MFCD00001979
    • ANW-34425
    • Hexanenitrile, 98%
    • n-Caproic nitrile
    • n-Pentyl cyanide
    • Amyl Cyanide
    • (C6-C12)Alkylnitrile
    • Nitriles, C6-12
    • 68002-67-5
    • S1XKP5498P
    • n-Amyl cyanide
    • 1-Cyanopentane
    • Pentyl cyanide
    • 628-73-9
    • Tricapronile
    • n-Capronitrile
    • Hexanonitrile
    • Capronitrile

HEXANENITRILE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of HEXANENITRILE?
C6H11N
How many atoms and what are they in the HEXANENITRILE structure?
18 atom(s) - 11 Hydrogen atom(s), 6 Carbon atom(s), and 1 Nitrogen atom(s)
How many chemical bonds and what are they in the HEXANENITRILE structure?
17 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 triple bond(s), and 1 nitrile(s) (aliphatic)
What’s the molecular weight of HEXANENITRILE?
97.15824 g/mol
What’s the SMILES string of HEXANENITRILE?
CCCCCC#N
What’s the InChI of HEXANENITRILE?
InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
What’s the InChIKey of HEXANENITRILE?
AILKHAQXUAOOFU-UHFFFAOYSA-N

1213 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).

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