2,6-Dichlorophenethylamine - CAS 14573-23-0
Catalog: |
BB009995 |
Product Name: |
2,6-Dichlorophenethylamine |
CAS: |
14573-23-0 |
Synonyms: |
2-(2,6-dichlorophenyl)ethanamine |
IUPAC Name: | 2-(2,6-dichlorophenyl)ethanamine |
Description: | 2,6-Dichlorophenethylamine (CAS# 14573-23-0) is a useful research chemical. |
Molecular Weight: | 190.07 |
Molecular Formula: | C8H9Cl2N |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)CCN)Cl |
InChI: | InChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2 |
InChI Key: | ACIMQXSSGMWVKG-UHFFFAOYSA-N |
Boiling Point: | 125-129 °C (52.5 mmHg) |
Density: | 1.307 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00060612 |
LogP: | 3.19490 |
GHS Hazard Statement: | H315 (95.24%): 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 |
US-2018230105-A1 | Therapeutic compounds | 20170113 |
US-2019330157-A1 | Therapeutic compounds | 20170113 |
WO-2017049409-A1 | Compositions for promoting readthrough of premature termination codons, and methods of using the same | 20150925 |
AU-2016301212-A1 | Inhibitors of ACK1/TNK2 tyrosine kinase | 20150802 |
EP-3328496-A1 | Inhibitors of ack1/tnk2 tyrosine kinase | 20150802 |
PMID | Publication Date | Title | Journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
Complexity: | 109 |
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: | 2.5 |
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