2-(7-methoxynaphthalen-1-yl)ethan-1-amine - CAS 138113-09-4
Catalog: |
BB008716 |
Product Name: |
2-(7-methoxynaphthalen-1-yl)ethan-1-amine |
CAS: |
138113-09-4 |
Synonyms: |
2-(7-methoxy-1-naphthalenyl)ethanamine; 2-(7-methoxynaphthalen-1-yl)ethanamine |
IUPAC Name: | 2-(7-methoxynaphthalen-1-yl)ethanamine |
Description: | 7-Methoxy-1-naphthaleneethanamine Hydrochloride acts as a reagent for the synthesis of antidepressant agomelatine by a tandem allylic chlorination-isomerization process. Also, acts as a reagent in the design, preparation and in vitro evaluation of melatonin derivatives as serotonin N-acetyltransferase inhibitors. |
Molecular Weight: | 201.269 |
Molecular Formula: | C13H15NO |
Canonical SMILES: | COC1=CC2=C(C=CC=C2CCN)C=C1 |
InChI: | InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3 |
InChI Key: | YXDUMIVUPSVYLB-UHFFFAOYSA-N |
Boiling Point: | 353.567 °C at 760 mmHg |
Density: | 1.094 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD09744147 |
LogP: | 3.04990 |
Publication Number | Title | Priority Date |
JP-2020094006-A | Sustained-release fungicide and method for producing the same | 20181213 |
CN-111511868-A | Slow-release complex agent comprising interlaminar-modified layered inorganic compound and method for producing same | 20180123 |
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JP-WO2019146304-A1 | Sustained-release composite agent containing an interlayer-modified layered inorganic compound and its production method | 20180123 |
CN-111356652-A | Interlayer crosslinking type lamellar inorganic compound and method for producing same | 20171127 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.115364102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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