4-Propionylpyridine - CAS 1701-69-5

Catalog:	BB012622
Product Name:	4-Propionylpyridine
CAS:	1701-69-5
Synonyms:	1-pyridin-4-yl-1-propanone; 1-pyridin-4-ylpropan-1-one

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Computed Properties

IUPAC Name:	1-pyridin-4-ylpropan-1-one
Description:	4-Propionylpyridine (CAS# 1701-69-5) is a useful research chemical.
Molecular Weight:	135.16
Molecular Formula:	C8H9NO
Canonical SMILES:	CCC(=O)C1=CC=NC=C1
InChI:	InChI=1S/C8H9NO/c1-2-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChI Key:	AFHFHXVRHACYSR-UHFFFAOYSA-N
Boiling Point:	229.7 °C at 760 mmHg
Density:	1.034 g/cm³
MDL:	MFCD00041229
LogP:	1.67430

Publication Number	Title	Priority Date
WO-2020230136-A1	Acss2 inhibitors and methods of use thereof	20190514
US-2019192668-A1	Irak degraders and uses thereof	20171226
US-2018179151-A1	Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof	20150612
WO-2016172631-A2	Substrate selective inhibitors of insulin-degrading enzyme (ide) and uses thereof	20150424
US-10195189-B2	2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds	20141215

PMID	Publication Date	Title	Journal
17602496	20070725	4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[4313-03-5]
2,4-Heptadienal

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.068413911
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8