3-Bromophenethylamine - CAS 58971-11-2
Catalog: |
BB030219 |
Product Name: |
3-Bromophenethylamine |
CAS: |
58971-11-2 |
Synonyms: |
2-(3-bromophenyl)ethanamine |
IUPAC Name: | 2-(3-bromophenyl)ethanamine |
Description: | 3-Bromophenethylamine (CAS# 58971-11-2) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 200.08 |
Molecular Formula: | C8H10BrN |
Canonical SMILES: | C1=CC(=CC(=C1)Br)CCN |
InChI: | InChI=1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2 |
InChI Key: | ORHRHMLEFQBHND-UHFFFAOYSA-N |
Boiling Point: | 239-240 ℃ |
Purity: | 98 % |
Density: | 1.406 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD01310790 |
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 |
Publication Number | Title | Priority Date |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
WO-2021072198-A1 | Oral complement factor d inhibitors | 20191009 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2021055621-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
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: | 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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