SDF/Mol File of L-Alaninol (C3H9NO)
Identification of L-Alaninol Chemical Compound
| Chemical Formula | C3H9NO |
|---|---|
| Molecular Weight | 75.10966 g/mol |
| IUPAC Name | (2S)-2-aminopropan-1-ol |
| SMILES String | CC(N)CO |
| InChI | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1 |
| InChIKey | BKMMTJMQCTUHRP-VKHMYHEASA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of L-Alaninol 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 L-Alaninol 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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Search Another SDF·MOL File
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- Name: ethanol
- 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 L-Alaninol Molecule
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Chemical structure of L-Alaninol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of L-Alaninol is available in chemical structure page of L-Alaninol, 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 L-Alaninol
The molecular weight of L-Alaninol is available in molecular weight page of L-Alaninol, 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 L-Alaninol
The chemical formula of L-Alaninol is given in chemical formula page of L-Alaninol, 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 L-Alaninol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of L-Alaninol is:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
It can provide a standard way to encode the molecular information of L-Alaninol 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 L-Alaninol is:
InChIKey=BKMMTJMQCTUHRP-VKHMYHEASA-N
The InChIKey may allow easier web searches for L-Alaninol, but it needs to be linked to the full InChI to get back to the original structure of the L-Alaninol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of L-Alaninol
The L-Alaninol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of L-Alaninol including the registry numbers are listed below, if available:
- ZX-AFC000672
- C-00035
- BBV-38391012
- AR-1J2949
- A-4550
- M03438
- C-5053
- EN300-86282
- (S)-(+)-2-Amino-1-propanol, 98%
- RTC-066857
- ANW-13770
- CS-B1303
- 1-Propanol, 2-amino-, (2S)-
- (2S)-(+)-2-aminopropan-1-ol
- (S)-(-)-2-amino-1-propanol
- (S)-(+)-2-aminopropan-1-ol
- (S)-(+)-2 amino-1-propanol
- (S)-(+) 2-amino-1-propanol
- (2R)-2-Amino-1-hydroxypropane
- (S)-1-hydroxymethylethylamine
- 2-(S)-amino-propan-1-ol
- (S)-2-amino-propan-1-ol
- (2S)-2-amino-1-propanol
- 2-Aminopropanol, (+)-
- (S)-2-aminopropan-1ol
- L-Alaninol; H-Ala-ol
- (S)-2-amino-propanol
- (S)-2-amino propanol
- 2S-amino-1-propanol
- AmbotzHAL1010
- L-(+)Alaninol
- 2A1
- (S)-alaninol
- H-Alaninol
- S-(+)-2-Amino-1-propanol
- L-2-aminopropan-1-ol
- L-Alaniol (S)-(+)-2-Amino-1-Propanol
- MFCD00064412
- V403GH89L1
- (S)-2-amino-1-propanol
- Alaninol
- (+)-2-Aminopropan-1-ol
- (S)-(+)-2-Amino-1-propanol
- (S)-2-Aminopropan-1-ol
- 2749-11-3
- L-Alaninol
L-Alaninol Identification Summary Frequently Asked Questions (FAQs)
| What’s the L-Alaninol formula? |
|---|
| C3H9NO |
| How many atoms and what elements are included in the L-Alaninol molecule? |
| 14 atom(s) - 9 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the L-Alaninol structure? |
| 13 bond(s) - 4 non-H bond(s), 1 rotatable bond(s), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s) |
| What’s the L-Alaninol’s molar mass? |
| 75.10966 g/mol |
| What’s the SMILES structure of L-Alaninol? |
| CC(N)CO |
| What’s the InChI code of L-Alaninol? |
| InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1 |
| What’s the InChIKey format of L-Alaninol? |
| BKMMTJMQCTUHRP-VKHMYHEASA-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).