N-Boc-2-(5-bromo-2-thienyl)ethanamine - CAS 885279-60-7
Catalog: |
BB038949 |
Product Name: |
N-Boc-2-(5-bromo-2-thienyl)ethanamine |
CAS: |
885279-60-7 |
Synonyms: |
N-[2-(5-bromo-2-thiophenyl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate |
Description: | N-Boc-2-(5-bromo-2-thienyl)ethanamine (CAS# 885279-60-7 ) is a useful research chemical. |
Molecular Weight: | 306.22 |
Molecular Formula: | C11H16BrNO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1=CC=C(S1)Br |
InChI: | InChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14) |
InChI Key: | DXBJSPGRHGHJQU-UHFFFAOYSA-N |
LogP: | 3.96870 |
Publication Number | Title | Priority Date |
US-2020270257-A1 | Chemical Compounds | 20190130 |
WO-2020160075-A1 | Chemical compounds | 20190130 |
US-10618889-B2 | Thiophene monoamine based organic-inorganic hybrid perovskites | 20180823 |
US-2020062740-A1 | Thiophene monoamine based organic-inorganic hybrid perovskites | 20180823 |
US-10196386-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.00851 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.00851 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Thiophenes
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