Methyl N-(2-Hydroxyethyl)carbamate - CAS 13296-56-5
Catalog: |
BB076239 |
Product Name: |
Methyl N-(2-Hydroxyethyl)carbamate |
CAS: |
13296-56-5 |
Synonyms: |
N-(Methoxycarbonyl)-2-aminoethanol; N-(2-hydroxyethyl)-Carbamic Acid Methyl Ester |
IUPAC Name: | methyl N-(2-hydroxyethyl)carbamate |
Description: | Methyl N-(2-Hydroxyethyl)carbamate is used in the preparation of condensed thiophenes as modulators of STING protein. |
Molecular Weight: | 119.11 |
Molecular Formula: | C4H9NO3 |
Canonical SMILES: | COC(=O)NCCO |
InChI: | InChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7) |
InChI Key: | ZLADYZHDLCSTJV-UHFFFAOYSA-N |
References: | Morrow, B., et al. PCT Int. Appl., 266 (2019). |
Complexity: | 73.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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