3-Methylphenethylamine - CAS 55755-17-4
Catalog: |
BB029167 |
Product Name: |
3-Methylphenethylamine |
CAS: |
55755-17-4 |
Synonyms: |
2-(3-methylphenyl)ethanamine |
IUPAC Name: | 2-(3-methylphenyl)ethanamine |
Description: | 3-Methylphenethylamine (CAS# 55755-17-4) is a useful research chemical. |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | CC1=CC(=CC=C1)CCN |
InChI: | InChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6,10H2,1H3 |
InChI Key: | GUERDLPJJJMIEU-UHFFFAOYSA-N |
Boiling Point: | 110 °C / 20 mmHg, 218.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 0.94 g/cm3 |
Appearance: | Colorless to pale yellow liquid |
MDL: | MFCD01310828 |
LogP: | 2.19650 |
GHS Hazard Statement: | H314 (97.62%): 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 |
CN-112480062-A | 5-lipoxygenase activating protein activity inhibitor and preparation method thereof | 20201214 |
CN-112159401-A | Biased agonist and medical application thereof | 20191105 |
WO-2021088805-A1 | Biased agonist and medical use thereof | 20191105 |
CN-110452169-B | Method for constructing tetrahydroisoquinoline compounds | 20190823 |
WO-2020264176-A1 | Urea derivatives as cb1 allosteric modulators | 20190628 |
PMID | Publication Date | Title | Journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
Complexity: | 90.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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