Isobutyramide - CAS 563-83-7

Catalog:	BB029345
Product Name:	Isobutyramide
CAS:	563-83-7
Synonyms:	2-methylpropanamide

Technical Data

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Computed Properties

IUPAC Name:	2-methylpropanamide
Description:	Isobutyramide (CAS# 563-83-7) is a useful research chemical compound.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	CC(C)C(=O)N
InChI:	InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChI Key:	WFKAJVHLWXSISD-UHFFFAOYSA-N
Boiling Point:	216-220 °C
Purity:	98 %
Density:	1.013 g/cm³
Appearance:	Dry powder
MDL:	MFCD00008019
LogP:	0.82800

Publication Number	Title	Priority Date
CN-110402267-A	The preparation method of water-absorbing resins	20170324
AU-2018240172-A1	Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators	20170320
AU-2018240172-B2	Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators	20170320
AU-2018240172-C1	Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators	20170320
CN-110382083-A	Use the method and apparatus for carrying out this method of the organosilicon composition in adsorbent copolymer depletion mixture	20170314

PMID	Publication Date	Title	Journal
22950440	20120925	Protein capsules assembled via isobutyramide grafts: sequential growth, biofunctionalization, and cellular uptake	ACS nano
22101784	20120501	Cloning and characterization of a novel amidase from Paracoccus sp. M-1, showing aryl acylamidase and acyl transferase activities	Applied microbiology and biotechnology
22439626	20120402	Synthesis of a high-valent, four-coordinate manganese cubane cluster with a pendant Mn atom: photosystem II-inspired manganese-nitrogen clusters	Inorganic chemistry
22589795	20120401	Poly[(μ(4)-benzene-1,3,5-tricarboxyl-ato)bis-(N,N-dimethyl-acetamide)-terbium(III)]	Acta crystallographica. Section E, Structure reports online
22356606	20120313	Hyperbranched polymers with thermoresponsive property highly sensitive to ions	Langmuir : the ACS journal of surfaces and colloids

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	58.6
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:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2