3,4-Dichlorophenethylamine - CAS 21581-45-3
Catalog: |
BB016983 |
Product Name: |
3,4-Dichlorophenethylamine |
CAS: |
21581-45-3 |
Synonyms: |
2-(3,4-dichlorophenyl)ethanamine |
IUPAC Name: | 2-(3,4-dichlorophenyl)ethanamine |
Description: | 3,4-Dichlorophenethylamine (CAS# 21581-45-3) is used in the regioselective meta-arylation of oxalyl amide-protected β-arylethylamines via palladium/norbornene catalyzed Catellani reaction. 3,4-Dichlorophenethylamine is also used in preparation and glycogen phosphorylase inhibitory activity of pyridone amides. |
Molecular Weight: | 190.07 |
Molecular Formula: | C8H9Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1CCN)Cl)Cl |
InChI: | InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2 |
InChI Key: | MQPUAVYKVIHUJP-UHFFFAOYSA-N |
Boiling Point: | 268.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.268 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00060617 |
LogP: | 3.19490 |
GHS Hazard Statement: | H315 (93.02%): 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 |
CN-111480649-A | Application of malononitrile compound as bactericide | 20190129 |
WO-2020156298-A1 | Application of malononitrile compound as bactericide | 20190129 |
KR-20200042561-A | Cell reprogramming composition and method for producing an induced pluripotent stem cell using the same | 20181015 |
KR-102125960-B1 | Cell reprogramming composition and method for producing an induced pluripotent stem cell using the same | 20181015 |
WO-2019161157-A1 | P300/cbp hat inhibitors | 20180216 |
PMID | Publication Date | Title | Journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0112047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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