6-Ethoxynicotinaldehyde - CAS 97455-61-3
Catalog: |
BB042053 |
Product Name: |
6-Ethoxynicotinaldehyde |
CAS: |
97455-61-3 |
Synonyms: |
6-ethoxypyridine-3-carbaldehyde |
IUPAC Name: | 6-ethoxypyridine-3-carbaldehyde |
Description: | 6-Ethoxynicotinaldehyde (CAS# 97455-61-3) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CCOC1=NC=C(C=C1)C=O |
InChI: | InChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3 |
InChI Key: | ROARRKDOMGZNFY-UHFFFAOYSA-N |
Boiling Point: | 258.8 °C at 760 mmHg |
Density: | 1.121 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD11553587 |
LogP: | 1.29280 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017326485-A1 | Fused bicyclic inhibitors of menin-MLL interaction | 20160914 |
CA-3033020-A1 | Fused bicyclic inhibitors of menin-mll interaction | 20160914 |
EP-3512858-A1 | Fused bicyclic inhibitors of menin-mll interaction | 20160914 |
JP-2019530745-A | Condensed bicyclic inhibitors of menin-MLL interaction | 20160914 |
KR-20190046888-A | Fusion bicyclic inhibitors of MENIN-MLL interaction | 20160914 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyridines
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