2-(3-Methoxyphenoxy)ethanimidamide Hydrochloride - CAS 114986-37-7
Catalog: |
BB060298 |
Product Name: |
2-(3-Methoxyphenoxy)ethanimidamide Hydrochloride |
CAS: |
114986-37-7 |
Synonyms: |
2-(3-Methoxyphenoxy)ethanimidamide hydrochloride; 2-(3-Methoxy-phenoxy)-acetamidine hydrochloride; 2-(3-methoxyphenoxy)ethanimidamide; hydrochloride |
IUPAC Name: | 2-(3-methoxyphenoxy)ethanimidamidehydrochloride |
Description: | 2-(3-Methoxyphenoxy)ethanimidamide Hydrochloride is a reactant; is used in preparation of novel aza-pyridopyrimidinone derivatives as G-protein coupled receptor (HM74A) agonists. |
Molecular Weight: | 180.20 + 36.46 |
Molecular Formula: | C9H12N2O2·HCl |
Canonical SMILES: | COC1=CC(=CC=C1)OCC(=N)N.Cl |
InChI: | InChI=1S/C9H12N2O2.ClH/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)1H |
InChI Key: | PVRIFOYQLZAHDZ-UHFFFAOYSA-N |
References: | Grether, U., et al. U.S. Pat. Appl. Publ., (2008). |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0665554 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0665554 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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