(2E)-3-(Dimethylamino)-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one - CAS 1619988-47-4
Catalog: |
BB048928 |
Product Name: |
(2E)-3-(Dimethylamino)-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
CAS: |
1619988-47-4 |
Synonyms: |
(2E)-3-(dimethylamino)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one; 2-Propen-1-one, 3-(dimethylamino)-1-(1-methyl-1H-pyrazol-4-yl)-, (E)-; (2E)-3-(Dimethylamino)-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one |
Related CAS: | 1006328-61-5 (rac-isomer) |
IUPAC Name: | (E)-3-(dimethylamino)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one |
Description: | (2E)-3-(Dimethylamino)-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS# 1619988-47-4 ) is a useful research chemical. |
Molecular Weight: | 179.22 |
Molecular Formula: | C9H13N3O |
Canonical SMILES: | CN1C=C(C=N1)C(=O)C=CN(C)C |
InChI: | InChI=1S/C9H13N3O/c1-11(2)5-4-9(13)8-6-10-12(3)7-8/h4-7H,1-3H3/b5-4+ |
InChI Key: | QMWPEMVHSGALOP-SNAWJCMRSA-N |
Boiling Point: | 289.7±36.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.05±0.1 g/cm3 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 179.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.105862047 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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