Bis(2,4-dimethoxybenzyl)amine - CAS 20781-23-1
Catalog: |
BB016298 |
Product Name: |
Bis(2,4-dimethoxybenzyl)amine |
CAS: |
20781-23-1 |
Synonyms: |
1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine; 1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine |
IUPAC Name: | 1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine |
Description: | Bis(2,4-dimethoxybenzyl)amine (CAS# 20781-23-1) is used in the preparation of TLR8 agonists. |
Molecular Weight: | 317.38 |
Molecular Formula: | C18H23NO4 |
Canonical SMILES: | COC1=CC(=C(C=C1)CNCC2=C(C=C(C=C2)OC)OC)OC |
InChI: | InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3 |
InChI Key: | IZWMZVDEYOKQCG-UHFFFAOYSA-N |
Boiling Point: | 443.5 °C at 760 mmHg |
Density: | 1.102 g/cm3 |
MDL: | MFCD00040480 |
LogP: | 3.40170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021187486-A1 | Oxadiazole derivative | 20200317 |
WO-2021126728-A1 | Prmt5 inhibitors | 20191217 |
WO-2021126729-A1 | Prmt5 inhibitors | 20191217 |
CN-112321590-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists | 20190802 |
WO-2021023105-A1 | Imidazo[2,1-f][1,2,4]triazin-4-amine derivative used as tlr8 agonist | 20190802 |
PMID | Publication Date | Title | Journal |
22893112 | 20121007 | Efficacious N-protection of O-aryl sulfamates with 2,4-dimethoxybenzyl groups | Organic & biomolecular chemistry |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.16270821 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 49 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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