Bis(4-methoxybenzyl)amine - CAS 17061-62-0
Catalog: |
BB012658 |
Product Name: |
Bis(4-methoxybenzyl)amine |
CAS: |
17061-62-0 |
Synonyms: |
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine; 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine |
IUPAC Name: | 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine |
Description: | N,N-Bis(4-methoxybenzyl)amine acts as a reagent for the synthesis and biological evaluation of pentanedioc acid derivatives as farnesyltransferase inhibitors. Also used in the preparation of (heteroarylamino)triazolamines as antiviral agents useful in the treatment of HCV infection. |
Molecular Weight: | 257.33 |
Molecular Formula: | C16H19NO2 |
Canonical SMILES: | COC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC |
InChI: | InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3 |
InChI Key: | HBKPDEWGANZHJO-UHFFFAOYSA-N |
MDL: | MFCD00277836 |
LogP: | 3.38450 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021211922-A1 | Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein | 20200416 |
CN-113149977-A | Synthesis and application of respiratory syncytial virus inhibitor | 20200122 |
WO-2021147947-A1 | Synthesis and use of class of respiratory syncytial virus inhibitors | 20200122 |
US-2021205311-A1 | Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors | 20200103 |
US-2021230294-A1 | Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy | 20200103 |
PMID | Publication Date | Title | Journal |
23011958 | 20121105 | Electronic coupling between two amine redox sites through the 5,5'-positions of metal-chelating 2,2'-bipyridines | Chemistry (Weinheim an der Bergstrasse, Germany) |
21744853 | 20110804 | Highly twisted triarylamines for photoinduced intramolecular charge transfer | The journal of physical chemistry. A |
21736301 | 20110801 | Electronic communication between two amine redox centers bridged by a bis(terpyridine)ruthenium(II) complex | Inorganic chemistry |
20221481 | 20100328 | A new special pair model comprising meso-di-p-anisylaminoporphyrin: enhancement of visible-light absorptivities and quantification of electronic communication in mixed-valent cation radical | Chemical communications (Cambridge, England) |
12953208 | 20030905 | Highly substituted azulene dyes as multifunctional NLO and electron-transfer compounds | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.141578849 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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