1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one - CAS 55314-16-4
Catalog: |
BB028997 |
Product Name: |
1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one |
CAS: |
55314-16-4 |
Synonyms: |
(E)-3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one; (E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one |
IUPAC Name: | (E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one |
Description: | 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one (CAS# 55314-16-4) is an Imatinib intermediate. It is a COVID19-related research product. |
Molecular Weight: | 176.22 |
Molecular Formula: | C10H12N2O |
Canonical SMILES: | CN(C)C=CC(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+ |
InChI Key: | MZLRFUCMBQWLNV-FNORWQNLSA-N |
Boiling Point: | 281.4 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
Appearance: | White to yellow crystalline solid |
LogP: | 1.33960 |
GHS Hazard Statement: | H302 (98.91%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P314, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354573-A | Method for large-scale production of alpha, alpha-terpyridine | 20210630 |
CN-112014383-A | Photosensitizer for homogeneous phase chemiluminescence and preparation method and application thereof | 20200630 |
CN-111912977-A | Photosensitive detection system and manufacturing method and application thereof | 20200623 |
CN-111440147-A | Synthesis method of N- (2-methyl-5-aminophenyl) -4- (3-pyridyl) -2-pyrimidinamine | 20200519 |
WO-2021074138-A1 | Synthesis of 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine | 20191014 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 176.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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