2-Bromophenethylamine - CAS 65185-58-2
Catalog: |
BB032654 |
Product Name: |
2-Bromophenethylamine |
CAS: |
65185-58-2 |
Synonyms: |
2-(2-bromophenyl)ethanamine |
IUPAC Name: | 2-(2-bromophenyl)ethanamine |
Description: | 2-Bromophenethylamine (CAS# 65185-58-2) is an intermediate used to prepare potent antagonists of antiapoptotic protein XIAP for treatment of cancer. It is also used in the synthesis of aryl aminosulfonamide derivatives as potent 5-HT6 receptor antagonists. |
Molecular Weight: | 200.08 |
Molecular Formula: | C8H10BrN |
Canonical SMILES: | C1=CC=C(C(=C1)CCN)Br |
InChI: | InChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2 |
InChI Key: | ITRNQMJXZUWZQL-UHFFFAOYSA-N |
Boiling Point: | 253 °C |
Purity: | 98 % |
Density: | 1.396 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | Store under Nitrogen |
MDL: | MFCD01529874 |
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 |
WO-2021204185-A1 | Benzo[d]azepine derivative as inhibitor of aggrecanase-2, preparation method therefor, and pharmaceutical use thereof | 20200410 |
WO-2021117733-A1 | Acrylamide compounds | 20191209 |
WO-2021055630-A1 | Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders | 20190917 |
CN-110452169-B | Method for constructing tetrahydroisoquinoline compounds | 20190823 |
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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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