B2315229Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | IQSYKHVFMYGJER-UHFFFAOYSA-N | Tert-butyl 2-isocyanoacetate | DTXSID70374780 | GS-0319 | MFCD03789072 | isocyano-acetic acid tert-butyl ester | MFCD00042952 | A852933 | Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester | AKOS015959163 | EN300-86222 | isocy |
|---|---|
| Specifications & Purity | ≥95%(GC) |
| Storage Temp | Protected from light,Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level5 Amino acids and derivatives
- Level6 Alpha amino acids and derivatives
- Level7 Alpha amino acid esters
- Level6 Alpha amino acids and derivatives
- Level5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Carboxylic acid esters Organic isocyanides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic isocyanide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504761557 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761557 |
| IUPAC Name | tert-butyl 2-isocyanoacetate |
| INCHI | InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3 |
| InChIKey | IQSYKHVFMYGJER-UHFFFAOYSA-N |
| Smiles | CC(C)(C)OC(=O)C[N+]#[C-] |
| Isomeric SMILES | CC(C)(C)OC(=O)C[N+]#[C-] |
| WGK Germany | 3 |
| Molecular Weight | 141.17 |
| Beilstein | 4130720 |
| Reaxy-Rn | 4130722 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4130722&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Light sensitive |
|---|---|
| Refractive Index | n20/D 1.422 |
| Flash Point(°F) | 179.6 °F |
| Flash Point(°C) | 82 °C |
| Boil Point(°C) | 50 °C/0.1 mmHg (lit.) |
| Molecular Weight | 141.170 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 141.079 Da |
| Monoisotopic Mass | 141.079 Da |
| Topological Polar Surface Area | 30.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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