Molecular Weight of Tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (C11H23NO3)
Identification of Tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate Chemical Compound
| Chemical Formula | C11H23NO3 |
|---|---|
| Molecular Weight | 217.30522 g/mol |
| IUPAC Name | tert-butyl N-(3-hydroxypropyl)-N-(propan-2-yl)carbamate |
| SMILES String | CC(C)N(CCCO)C(=O)OC(C)(C)C |
| InChI | InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3 |
| InChIKey | LLCYWHXMBXMVAS-UHFFFAOYSA-N |
Molecular Weight Description
The tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate molecule consists of 23 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) - a total of 38 atom(s). The molecular weight of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 217.30522 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate Molecule
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Structure Data File (SDF/MOL File) of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
The structure data file (SDF/MOL File) of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is available for download in the SDF page of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate, which provides the information on atoms, bonds, connectivity and coordinates of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate. The tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
The molecular structure image of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is available in chemical structure page of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate and the chemical bonds that hold the atoms together.
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Chemical formula of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
The molecular formula of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is given in chemical formula page of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate, 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 tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
In addition to the molecular weight information, the structural information of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate in a textual expression is available via InChi. The full standard InChI of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is given below:
InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3
It can provide a way to encode the molecular information of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate 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 tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate is:
InChIKey=LLCYWHXMBXMVAS-UHFFFAOYSA-N
It may allow easier web searches for tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
There may be different names of the tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- BBV-32341088
- 4652AJ
- 3-(tert-butoxycarbonyl-isopropylamino)propanol
- (3-Hydroxy-propyl)-isopropyl-carbamic acid tert-butyl ester
- EN300-61982
- 873437-13-9
- tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
Tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate? |
|---|
| C11H23NO3 |
| How many atoms and what are the elements in the tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate molecule? |
| 38 atom(s) - 23 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate structure? |
| 37 bond(s) - 14 non-H bond(s), 1 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s) |
| What’s the molar mass of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate? |
| 217.30522 g/mol |
| What’s the SMILES format of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate? |
| CC(C)N(CCCO)C(=O)OC(C)(C)C |
| What’s the InChI format of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate? |
| InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3 |
| What’s the InChIKey string of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate? |
| LLCYWHXMBXMVAS-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).