N-Boc-2-amino-5-bromothiophene - CAS 943321-89-9
Catalog: |
BB041275 |
Product Name: |
N-Boc-2-amino-5-bromothiophene |
CAS: |
943321-89-9 |
Synonyms: |
N-(5-bromo-2-thiophenyl)carbamic acid tert-butyl ester; tert-butyl N-(5-bromothiophen-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(5-bromothiophen-2-yl)carbamate |
Description: | N-Boc-2-amino-5-bromothiophene (CAS# 943321-89-9) is a useful research chemical. |
Molecular Weight: | 278.17 |
Molecular Formula: | C9H12BrNO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(S1)Br |
InChI: | InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12) |
InChI Key: | SKPRAKMCHAPMNY-UHFFFAOYSA-N |
LogP: | 3.93060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1968568-A2 | INHIBITORS OF Akt ACTIVITY | 20051222 |
WO-2007076423-A2 | INHIBITORS OF Akt ACTIVITY | 20051222 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.97721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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