2-Acetamido-5,6,7,8-tetrahydronaphthalene - CAS 50878-03-0
Catalog: |
BB027244 |
Product Name: |
2-Acetamido-5,6,7,8-tetrahydronaphthalene |
CAS: |
50878-03-0 |
Synonyms: |
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide; N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide |
IUPAC Name: | N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide |
Description: | 2-Acetamido-5,6,7,8-tetrahydronaphthalene (CAS# 50878-03-0 ) is a useful research chemical. |
Molecular Weight: | 189.25 |
Molecular Formula: | C12H15NO |
Canonical SMILES: | CC(=O)NC1=CC2=C(CCCC2)C=C1 |
InChI: | InChI=1S/C12H15NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5H2,1H3,(H,13,14) |
InChI Key: | QJEVQGGWBHGIBZ-UHFFFAOYSA-N |
Boiling Point: | 374.4 °C at 760 mmHg |
Density: | 1.117 g/cm3 |
Solubility: | >28.4 [ug/mL] (The mean of the results at pH 7.4) |
LogP: | 2.59680 |
Publication Number | Title | Priority Date |
US-2019300487-A1 | Compounds and methods for ido and tdo modulation, and indications therefor | 20180320 |
WO-2019183145-A1 | Compounds and methods for ido and tdo modulation, and indications therefor | 20180320 |
AU-2019239952-A1 | Compounds and methods for IDO and TDO modulation, and indications therefor | 20180320 |
CN-112119072-A | Compounds and methods for IDO and TDO modulation, and indications thereof | 20180320 |
EP-3768666-A1 | Compounds and methods for ido and tdo modulation, and indications therefor | 20180320 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.115364102 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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