2-[(Boc-amino)methyl]-5-bromothiophene - CAS 215183-27-0
Catalog: |
BB016933 |
Product Name: |
2-[(Boc-amino)methyl]-5-bromothiophene |
CAS: |
215183-27-0 |
Synonyms: |
tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate |
Description: | 2-[(Boc-amino)methyl]-5-bromothiophene (CAS# 215183-27-0) is a useful research chemical. |
Molecular Weight: | 292.19 |
Molecular Formula: | C10H14BrNO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=C(S1)Br |
InChI: | InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13) |
InChI Key: | CVNITIPQHIGCKI-UHFFFAOYSA-N |
Boiling Point: | 371 °C at 760 mmHg |
Melting Point: | 51 °C |
Purity: | 95 % |
Density: | 1.416 g/cm3 |
MDL: | MFCD03659715 |
LogP: | 3.92620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3484879-A1 | Hydroxyquinolinone compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
US-10196386-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
US-2018016267-A1 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
WO-2018011090-A1 | Hydroxyquinolinone compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
EP-3484879-B1 | Hydroxyquinolinone compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20160713 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.99286 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.99286 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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