4-Methoxyphenethylamine - CAS 55-81-2
Catalog: |
BB029184 |
Product Name: |
4-Methoxyphenethylamine |
CAS: |
55-81-2 |
Synonyms: |
2-(4-methoxyphenyl)ethanamine |
IUPAC Name: | 2-(4-methoxyphenyl)ethanamine |
Description: | 4-Methoxyphenethylamine (CAS# 55-81-2) is a useful research chemical compound. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | COC1=CC=C(C=C1)CCN |
InChI: | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
InChI Key: | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
Boiling Point: | 138-140 °C (20 mmHg) |
Melting Point: | 249-128 °C |
Purity: | 97 % |
Density: | 1.033 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00008192 |
LogP: | 1.89670 |
GHS Hazard Statement: | H314 (100%): 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 |
21394332 | 20110428 | Next generation techniques in the high resolution spectroscopy of biologically relevant molecules | Physical chemistry chemical physics : PCCP |
21588442 | 20100731 | 4-(4-Meth-oxy-pheneth-yl)-3-methyl-1H-1,2,4-triazol-5(4H)-one | Acta crystallographica. Section E, Structure reports online |
19725810 | 20091023 | Human and mouse trace amine-associated receptor 1 have distinct pharmacology towards endogenous monoamines and imidazoline receptor ligands | The Biochemical journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
19325797 | 20080601 | Electrochemical Investigation of oligonucleotide-DNA hybridization on poly(4-methoxyphenethylamine) | International journal of molecular sciences |
Complexity: | 97.7 |
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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