4-Bromophenethylamine - CAS 73918-56-6
Catalog: |
BB034951 |
Product Name: |
4-Bromophenethylamine |
CAS: |
73918-56-6 |
Synonyms: |
2-(4-bromophenyl)ethanamine |
IUPAC Name: | 2-(4-bromophenyl)ethanamine |
Description: | 4-Bromophenethylamine (CAS# 73918-56-6) is a useful research chemical. |
Molecular Weight: | 200.08 |
Molecular Formula: | C8H10BrN |
Canonical SMILES: | C1=CC(=CC=C1CCN)Br |
InChI: | InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 |
InChI Key: | ZSZCXAOQVBEPME-UHFFFAOYSA-N |
Boiling Point: | 63-72 °C (0.2 mmHg) |
Density: | 1.29 g/cm3 |
MDL: | MFCD00008189 |
LogP: | 2.65060 |
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 |
20238107 | 20100501 | Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA | Analytical and bioanalytical chemistry |
18847250 | 20081113 | Potential modes of interaction of 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives with the 5-HT2A receptor: a ligand structure-affinity relationship, receptor mutagenesis and receptor modeling investigation | Journal of medicinal chemistry |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
15487013 | 20040101 | Derivatization of phosphorylated peptides with S- and N-nucleophiles for enhanced ionization efficiency in matrix-assisted laser desorption/ionization mass spectrometry | Rapid communications in mass spectrometry : RCM |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.99966 |
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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Amines and Anilines
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