2-Bromo-3-(dimethylamino)acrolein - CAS 26387-66-6
Catalog: |
BB019261 |
Product Name: |
2-Bromo-3-(dimethylamino)acrolein |
CAS: |
26387-66-6 |
Synonyms: |
2-bromo-3-(dimethylamino)prop-2-enal |
IUPAC Name: | (Z)-2-bromo-3-(dimethylamino)prop-2-enal |
Description: | 2-Bromo-3-(dimethylamino)acrolein (CAS# 26387-66-6 ) is a useful research chemical. |
Molecular Weight: | 178.03 |
Molecular Formula: | C5H8BrNO |
Canonical SMILES: | CN(C)C=C(C=O)Br |
InChI: | InChI=1S/C5H8BrNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3 |
InChI Key: | ACBSCWFIKSDJLP-UHFFFAOYSA-N |
LogP: | 0.98320 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P280, P285, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2931758-A1 | Fused tricyclic imidazole derivatives as modulators of tnf activity | 20131209 |
EP-3080113-A1 | Fused tricyclic imidazole derivatives as modulators of tnf activity | 20131209 |
EP-3080113-B1 | Fused tricyclic imidazole derivatives as modulators of tnf activity | 20131209 |
ES-2755335-T3 | Derived from fused tricyclic imidazoles as modulators of TNF activity | 20131209 |
JP-2016539963-A | Fused tricyclic imidazole derivatives as modulators of TNF activity | 20131209 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 176.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.97893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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