Butyramide - CAS 541-35-5

Catalog:	BB028516
Product Name:	Butyramide
CAS:	541-35-5
Synonyms:	butanamide

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Computed Properties

IUPAC Name:	butanamide
Description:	Butyramide (CAS# 541-35-5) is an organic reagent used in organic synthesis. Used in the preparation of benzimidazoles as well as one pot synthesis of [1,2,3]triazolo[1,5-a]quinoxalines.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	CCCC(=O)N
InChI:	InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChI Key:	DNSISZSEWVHGLH-UHFFFAOYSA-N
Boiling Point:	216 °C
Melting Point:	115-116 °C
Purity:	98 %
Density:	1.032 g/cm³
Solubility:	Sol in alcohol; slightly sol in ether
Appearance:	Crystals
MDL:	MFCD00041894
LogP:	0.97210
Vapor Pressure:	0.00391 [mmHg]

Publication Number	Title	Priority Date
CN-111960961-A	Synthetic method of alpha-amidoketone compound	20200917
WO-2021188696-A1	Stat degraders and uses thereof	20200317
WO-2021183707-A2	Fungicidal halomethyl ketones and hydrates and their mixtures	20200311
WO-2021178690-A1	Therapeutic compounds and methods of use thereof	20200305
WO-2021175669-A1	Use of substituted 1,2,4-oxadiazoles for combating phytopathogenic fungi	20200304

PMID	Publication Date	Title	Journal
22897294	20120814	Shear and dielectric responses of propylene carbonate, tripropylene glycol, and a mixture of two secondary amides	The Journal of chemical physics
22588192	20120621	Amide-induced phase separation of hexafluoroisopropanol-water mixtures depending on the hydrophobicity of amides	Physical chemistry chemical physics : PCCP
22347117	20120201	N-(4-Bromo-phen-yl)-2-(4-chloro-phen-yl)acetamide	Acta crystallographica. Section E, Structure reports online
22347134	20120201	Redetermination of loperamide monohydrate	Acta crystallographica. Section E, Structure reports online
22479587	20120101	NAHA, a novel hydroxamic acid-derivative, inhibits growth and angiogenesis of breast cancer in vitro and in vivo	PloS one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	51.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.068413911
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2