2-Acetyl-3-ethylpyrazine - CAS 32974-92-8

Catalog:	BB021500
Product Name:	2-Acetyl-3-ethylpyrazine
CAS:	32974-92-8
Synonyms:	1-(3-ethyl-2-pyrazinyl)ethanone; 1-(3-ethylpyrazin-2-yl)ethanone

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-(3-ethylpyrazin-2-yl)ethanone
Description:	2-Acetyl-3-ethylpyrazine (CAS# 32974-92-8) is a useful research chemical.
Molecular Weight:	150.18
Molecular Formula:	C8H10N2O
Canonical SMILES:	CCC1=NC=CN=C1C(=O)C
InChI:	InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
InChI Key:	PPJSYGVFDJEMRP-UHFFFAOYSA-N
Boiling Point:	54-56 °C (1 mmHg)
Purity:	99.0%
Density:	1.075 g/cm³
Solubility:	2.072e+004 mg/L at 25 °C (est)
Appearance:	Liquid
MDL:	MFCD00038028
LogP:	1.24160

Publication Number	Title	Priority Date
CN-111620913-A	Ruthenium complex with thiosemicarbazone as ligand and application thereof	20200708
CN-111620913-B	Ruthenium complex with thiosemicarbazone as ligand and application thereof	20200708
US-2020245694-A1	Natural-based liquid composition and electronic vaporizing devices for using such composition	20190201
CN-109796497-B	Bismuth compound with 2-acetyl-3-ethylpyrazine thiosemicarbazone as ligand and synthesis method thereof	20190116
CN-108912149-B	Copper compound with 2-acetyl-3-ethylpyrazine thiosemicarbazone as ligand and synthetic method and application thereof	20180625

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (94.96%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.079312947
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6