trans-4-(Dimethylamino)-3-buten-2-one - CAS 2802-08-6
Catalog: |
BB019738 |
Product Name: |
trans-4-(Dimethylamino)-3-buten-2-one |
CAS: |
2802-08-6 |
Synonyms: |
3-Buten-2-one, 4-(dimethylamino)-, (3E)-; (3E)-4-(Dimethylamino)-3-buten-2-one; 3-Buten-2-one, 4-(dimethylamino)-, (E)-; (E)-4-(Dimethylamino)but-3-en-one; (E)-4-Dimethylamino-3-buten-2-one |
IUPAC Name: | (E)-4-(dimethylamino)but-3-en-2-one |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | CC(=O)C=CN(C)C |
InChI: | InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+ |
InChI Key: | QPWSKIGAQZAJKS-SNAWJCMRSA-N |
Boiling Point: | 97-98°C at 3 Torr |
Purity: | 95% |
Density: | 0.9732 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Clear reddish-brown to dark brown liquid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00142611 |
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-2021020362-A1 | Heterocyclic compound | 20190729 |
WO-2020163642-A1 | Glycyrrhetinic acid derivatives for use in treating hyperkalemia | 20190207 |
TW-202045523-A | Compounds and methods for treating hyperkalemia | 20190207 |
US-2021047315-A1 | Cyclic compound having dopamine d3 receptor antagonistic effect | 20180126 |
EP-3494107-A1 | Manufacture of hydrazinyl compounds useful in the manufacture of pyrazole carboxylic acid and derivatives, hydrazinyl compounds and their use | 20160802 |
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: | 0.3 |
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