3-Methoxyphenethylamine - CAS 2039-67-0
Catalog: |
BB015887 |
Product Name: |
3-Methoxyphenethylamine |
CAS: |
2039-67-0 |
Synonyms: |
Benzeneethanamine, 3-methoxy-; 3-Methoxybenzeneethanamine; Phenethylamine, m-methoxy-; 1-(2-Aminoethyl)-3-methoxybenzene; 2-(3-Methoxyphenyl)-1-ethanamine; 2-(3-Methoxyphenyl)ethylamine; 2-(m-Methoxyphenyl)ethylamine; 3-Methoxy-β-phenethylamine; 3-Methoxyphenylethylamine; [2-[3-(Methyloxy)phenyl]ethyl]amine; m-Methoxy-β-phenylethylamine; m-Methoxyphenethylamine; NSC 124706 |
IUPAC Name: | 2-(3-methoxyphenyl)ethanamine |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | COC1=CC=CC(=C1)CCN |
InChI: | InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3 |
InChI Key: | WJBMRZAHTUFBGE-UHFFFAOYSA-N |
Boiling Point: | 128°C at 12 Torr |
Purity: | ≥95% |
Density: | 1.008±0.06 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
Storage: | Store at RT |
MDL: | MFCD00008187 |
LogP: | 1.89670 |
GHS Hazard Statement: | H314 (97.67%): 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 |
19603481 | 20100505 | Self-assembly and chiral recognition of quartz crystal microbalance chiral sensor | Chirality |
22163577 | 20100101 | Intelligent chiral sensing based on supramolecular and interfacial concepts | Sensors (Basel, Switzerland) |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
12093814 | 20020913 | Oxidation of methoxyphenethylamines by cytochrome P450 2D6. Analysis of rate-limiting steps | The Journal of biological chemistry |
11714275 | 20011127 | Oxidation of phenethylamine derivatives by cytochrome P450 2D6: the issue of substrate protonation in binding and catalysis | Biochemistry |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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