1-(3-Bromophenyl)-1-methylethylamine - CAS 74702-93-5
Catalog: |
BB035140 |
Product Name: |
1-(3-Bromophenyl)-1-methylethylamine |
CAS: |
74702-93-5 |
Synonyms: |
2-(3-bromophenyl)-2-propanamine; 2-(3-bromophenyl)propan-2-amine |
IUPAC Name: | 2-(3-bromophenyl)propan-2-amine |
Description: | 1-(3-Bromophenyl)-1-methylethylamine (CAS# 74702-93-5) is a useful research chemical. |
Molecular Weight: | 214.10 |
Molecular Formula: | C9H12BrN |
Canonical SMILES: | CC(C)(C1=CC(=CC=C1)Br)N |
InChI: | InChI=1S/C9H12BrN/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6H,11H2,1-2H3 |
InChI Key: | WXAFGTXOIBNLNB-UHFFFAOYSA-N |
Boiling Point: | 246 °C |
Density: | 1.342 g/cm3 |
LogP: | 3.34320 |
Publication Number | Title | Priority Date |
WO-2018005801-A2 | Novel non-systemic tgr5 agonists | 20160701 |
US-2020308122-A1 | Novel non-systemic tgr5 agonists | 20160701 |
AU-2016341520-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
CA-3001799-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
EP-3365334-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.01531 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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