Structure & Deep Data of Amino(chloro)methanol (CH4ClNO)
Identification of Amino(chloro)methanol Chemical Compound
Chemical Formula | CH4ClNO |
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Molecular Weight | 81.50156 g/mol |
IUPAC Name | amino(chloro)methanol |
SMILES String | NC(O)Cl |
InChI | InChI=1S/CH4ClNO/c2-1(3)4/h1,4H,3H2 |
InChIKey | MSLSKLBJPQBLER-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The amino(chloro)methanol molecule contains a total of 7 bond(s). There are 3 non-H bond(s), 1 primary amine(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of amino(chloro)methanol are given below:
The 2D chemical structure image of amino(chloro)methanol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of amino(chloro)methanol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of amino(chloro)methanol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of amino(chloro)methanol. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of amino(chloro)methanol is provided here.
The amino(chloro)methanol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the amino(chloro)methanol molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of amino(chloro)methanol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Amino(chloro)methanol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of amino(chloro)methanol
The SMILES string of amino(chloro)methanol is NC(O)Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the amino(chloro)methanol.
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Structure Data File (SDF/MOL File) of amino(chloro)methanol
The structure data file (SDF/MOL File) of amino(chloro)methanol is available for download in the SDF page of amino(chloro)methanol, which provides the information about the atoms, bonds, connectivity and coordinates of amino(chloro)methanol. The amino(chloro)methanol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of amino(chloro)methanol
The molecular formula of amino(chloro)methanol is available in chemical formula page of amino(chloro)methanol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of amino(chloro)methanol
The molecular weight of amino(chloro)methanol is available in molecular weight page of amino(chloro)methanol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of amino(chloro)methanol
The amino(chloro)methanol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of amino(chloro)methanol including the various registry numbers, if available:
None available.
Amino(chloro)methanol Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of amino(chloro)methanol? |
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CH4ClNO |
How many atoms and what are the elements included the amino(chloro)methanol molecule? |
8 atom(s) - 4 Hydrogen atom(s), 1 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the amino(chloro)methanol structure? |
7 bond(s) - 3 non-H bond(s), 1 primary amine(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the amino(chloro)methanol’s molecular weight? |
81.50156 g/mol |
What’s the SMILES code of amino(chloro)methanol? |
NC(O)Cl |
What’s the InChI string of amino(chloro)methanol? |
InChI=1S/CH4ClNO/c2-1(3)4/h1,4H,3H2 |
What’s the InChIKey code of amino(chloro)methanol? |
MSLSKLBJPQBLER-UHFFFAOYSA-N |
2603
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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).