2,2-Dimethoxy-N-(4-methoxybenzylidene)ethanamine - CAS 54879-50-4
Catalog: |
BB028843 |
Product Name: |
2,2-Dimethoxy-N-(4-methoxybenzylidene)ethanamine |
CAS: |
54879-50-4 |
Synonyms: |
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine; N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine |
IUPAC Name: | N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine |
Description: | 2,2-Dimethoxy-N-(4-methoxybenzylidene)ethanamine (CAS# 54879-50-4 ) is a useful research chemical. |
Molecular Weight: | 223.27 |
Molecular Formula: | C12H17NO3 |
Canonical SMILES: | COC1=CC=C(C=C1)C=NCC(OC)OC |
InChI: | InChI=1S/C12H17NO3/c1-14-11-6-4-10(5-7-11)8-13-9-12(15-2)16-3/h4-8,12H,9H2,1-3H3 |
InChI Key: | DVPPFJDDEWFJFN-UHFFFAOYSA-N |
LogP: | 1.73300 |
Publication Number | Title | Priority Date |
EP-1919904-B1 | Macrocyclic inhibitors of hepatitis c virus | 20050729 |
US-2009281141-A1 | Macrocyclic inhibitors of hepatitis c virus | 20050729 |
US-8012939-B2 | Macrocyclic inhibitors of hepatitis C virus | 20050729 |
WO-2007014921-A1 | Macrocyclic inhibitors of hepatitis c virus | 20050729 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1208434 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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