3-Bromo-4-methoxyphenethylamine - CAS 159465-27-7
Catalog: |
BB011538 |
Product Name: |
3-Bromo-4-methoxyphenethylamine |
CAS: |
159465-27-7 |
Synonyms: |
2-(3-bromo-4-methoxyphenyl)ethanamine |
IUPAC Name: | 2-(3-bromo-4-methoxyphenyl)ethanamine |
Description: | 3-Bromo-4-methoxyphenethylamine (CAS# 159465-27-7) is a useful research chemical. |
Molecular Weight: | 230.10 |
Molecular Formula: | C9H12BrNO |
Canonical SMILES: | COC1=C(C=C(C=C1)CCN)Br |
InChI: | InChI=1S/C9H12BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3 |
InChI Key: | JHVALSRTUOVNLL-UHFFFAOYSA-N |
Boiling Point: | 303.6 °C at 760 mmHg |
Density: | 1.389 g/cm3 |
MDL: | MFCD00153891 |
LogP: | 2.65920 |
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 |
CN-113493438-A | Tetrahydroisoquinoline compounds | 20200320 |
WO-2019137985-A1 | Tetrahydroisoquinoline compounds | 20180110 |
EP-3737677-A1 | Tetrahydroisoquinoline compounds | 20180110 |
US-2020369671-A1 | Tetrahydroisoquinoline compounds | 20180110 |
CN-112262137-A | Tetrahydroisoquinoline compounds | 20180110 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.01023 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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