N-Methylpropionamide - CAS 1187-58-2

Catalog:	BB004256
Product Name:	N-Methylpropionamide
CAS:	1187-58-2
Synonyms:	N-methylpropanamide

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Computed Properties

IUPAC Name:	N-methylpropanamide
Description:	N-Methylpropionamide (CAS# 1187-58-2 ) is a useful research chemical.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	CCC(=O)NC
InChI:	InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChI Key:	QJQAMHYHNCADNR-UHFFFAOYSA-N
Boiling Point:	146 °C (90 mmHg)
Density:	0.931 g/cm³
Appearance:	Clear colourless liquid
MDL:	MFCD00009300
LogP:	0.53330

Publication Number	Title	Priority Date
AU-2021101335-A4	Analysis Method of Metabolites of Mung Bean	20210315
CN-112900092-A	Antibacterial soil-release fabric and preparation method thereof	20210304
CN-112851931-A	Corrosion-resistant polyarylether resin, corrosion-resistant separation membrane and preparation method thereof	20210104
JP-2021085037-A	Conductive pigment pastes, coating materials, and conductive coating films	20201224
CN-112299938-A	Method for preparing amine compound by reducing amide compound	20201112

PMID	Publication Date	Title	Journal
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
21736310	20110801	Semirigid aromatic sulfone-carboxylate molecule for dynamic coordination networks: multiple substitutions of the ancillary ligands	Inorganic chemistry
21425877	20110506	Synthesis of 2'-O-[2-(N-methylcarbamoyl)ethyl]ribonucleosides using oxa-Michael reaction and chemical and biological properties of oligonucleotide derivatives incorporating these modified ribonucleosides	The Journal of organic chemistry
21210040	20110307	Fractional Stokes-Einstein-Debye relation and orientational entropy effects in strongly hydrogen-bonded liquid amides	Physical chemistry chemical physics : PCCP

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0