2-Cyano-3-(dimethylamino)-2-butenamide - CAS 62321-92-0
Catalog: |
BB031526 |
Product Name: |
2-Cyano-3-(dimethylamino)-2-butenamide |
CAS: |
62321-92-0 |
Synonyms: |
2-cyano-3-(dimethylamino)-2-butenamide; 2-cyano-3-(dimethylamino)but-2-enamide |
IUPAC Name: | (E)-2-cyano-3-(dimethylamino)but-2-enamide |
Description: | 2-Cyano-3-(dimethylamino)-2-butenamide (CAS# 62321-92-0 ) is a useful research chemical. |
Molecular Weight: | 153.18 |
Molecular Formula: | C7H11N3O |
Canonical SMILES: | CC(=C(C#N)C(=O)N)N(C)C |
InChI: | InChI=1S/C7H11N3O/c1-5(10(2)3)6(4-8)7(9)11/h1-3H3,(H2,9,11) |
InChI Key: | CPNKUDCDGKOECR-UHFFFAOYSA-N |
Boiling Point: | 435.3 °C at 760 mmHg |
Density: | 1.104 g/cm3 |
MDL: | MFCD00663777 |
LogP: | 0.53118 |
Publication Number | Title | Priority Date |
CA-2633093-A1 | Mglur1 antagonists as therapeutic agents | 20051213 |
EP-1966220-A2 | Mglur1 anatgonists as therapeutic agents | 20051213 |
EP-1966220-B1 | Mglur1 anatgonists as therapeutic agents | 20051213 |
JP-2009519337-A | MGluR1 antagonists as therapeutic agents | 20051213 |
WO-2007070393-A2 | Mglur1 anatgonists as therapeutic agents | 20051213 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 153.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.090211983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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