2-(2-Chlorophenyl)ethylamine - CAS 13078-80-3
Catalog: |
BB007173 |
Product Name: |
2-(2-Chlorophenyl)ethylamine |
CAS: |
13078-80-3 |
Synonyms: |
2-(2-chlorophenyl)ethanamine |
IUPAC Name: | 2-(2-chlorophenyl)ethanamine |
Description: | 2-(2-Chlorophenyl)ethylamine (CAS# 13078-80-3) is a useful research chemical. |
Molecular Weight: | 155.62 |
Molecular Formula: | C8H10ClN |
Canonical SMILES: | C1=CC=C(C(=C1)CCN)Cl |
InChI: | InChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2 |
InChI Key: | RZBOMSOHMOVUES-UHFFFAOYSA-N |
Boiling Point: | 120 °C (15 mmHg) |
Purity: | 95 % |
Density: | 1.106 g/cm3 |
Appearance: | Clear slightly yellow liquid. amine-like odor. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008185 |
LogP: | 2.54150 |
GHS Hazard Statement: | H314 (95.12%): 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 |
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PMID | Publication Date | Title | Journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0501770 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0501770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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