3-(Dimethylamino)-2-methyl-2-propenal - CAS 19125-76-9
Catalog: |
BB014802 |
Product Name: |
3-(Dimethylamino)-2-methyl-2-propenal |
CAS: |
19125-76-9 |
Synonyms: |
(E)-3-(dimethylamino)-2-methylprop-2-enal |
IUPAC Name: | (E)-3-(dimethylamino)-2-methylprop-2-enal |
Description: | 3-(Dimethylamino)-2-methyl-2-propenal (CAS# 19125-76-9) is used in preparation of Thienopyridine derivatives compounds as protein kinase inhibitor. Also, used in process for preparation of Pyridazinone compounds. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | CC(=CN(C)C)C=O |
InChI: | InChI=1S/C6H11NO/c1-6(5-8)4-7(2)3/h4-5H,1-3H3/b6-4+ |
InChI Key: | JGAMOQYFDMQPRJ-GQCTYLIASA-N |
Boiling Point: | 110-115 °C1 mmHg (lit.) |
Melting Point: | 34-38 °C (lit.) |
Purity: | 95 % |
Density: | 0.971 g/mL at 25 °C (lit.) |
MDL: | MFCD00075471 |
LogP: | 0.65070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019182274-A1 | Thienopyridine derivatives and pharmaceutical composition comprising same | 20180308 |
EP-3762392-A1 | Thienopyridine derivatives and pharmaceutical composition comprising same | 20180308 |
US-10557045-B2 | Pigment dispersant with hindered light amine stabilizer and pigment dispersions and coating compositions based thereon | 20170811 |
US-2019048212-A1 | Pigment dispersant with hindered light amine stabilizer and pigment dispersions and coating compositions based thereon | 20170811 |
KR-20200013758-A | Pyrazolopyrimidine PDE9 Inhibitor | 20170608 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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