Ethylpyrazine - CAS 13925-00-3

Catalog:	BB008915
Product Name:	Ethylpyrazine
CAS:	13925-00-3
Synonyms:	2-ethylpyrazine

Technical Data

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Computed Properties

IUPAC Name:	2-ethylpyrazine
Description:	Ethylpyrazine (CAS# 13925-00-3) is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.
Molecular Weight:	108.14
Molecular Formula:	C6H8N2
Canonical SMILES:	CCC1=NC=CN=C1
InChI:	InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChI Key:	KVFIJIWMDBAGDP-UHFFFAOYSA-N
Boiling Point:	152-153 °C
Purity:	> 99.0 % (GC)
Density:	0.984 g/cm³
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00006149
LogP:	1.03900
Vapor Pressure:	1.67 [mmHg]

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
WO-2021127265-A1	Compounds and probes for imaging huntingtin protein	20191218
WO-2021127217-A1	Combination anti-cancer therapies with inducers of iron-dependent cellular disassembly	20191217
WO-2021102600-A1	Benzyl piperazine compound, preparation method therefor and application thereof in antivirus	20191129
WO-2021096860-A1	Mcl1 inhibitors	20191112

PMID	Publication Date	Title	Journal
22972780	20120901	Effect of sugars on liquid-vapour partition of volatile compounds in ready-to-drink coffee beverages	Journal of mass spectrometry : JMS
21613503	20110525	Similar odorants elicit different behavioral and physiological responses, some supersustained	The Journal of neuroscience : the official journal of the Society for Neuroscience
17120096	20071001	Degradation of 2,5-dimethylpyrazine by Rhodococcus erythropolis strain DP-45 isolated from a waste gas treatment plant of a fishmeal processing company	Biodegradation
16933949	20060904	Investigations on the synthesis, structures, and properties of new copper(I) 2,3-dimethylpyrazine coordination compounds	Inorganic chemistry
15140253	20040512	Pyrazine derivatives in cigarette smoke inhibit hamster oviductal functioning	Reproductive biology and endocrinology : RB&E

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GHS Hazard Statement:	H226 (14.26%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.068748264
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7