2-Ethylbutanamide - CAS 1114-38-1

Catalog:	BB002760
Product Name:	2-Ethylbutanamide
CAS:	1114-38-1
Synonyms:	2-ethylbutanamide; 2-ethylbutanamide

Technical Data

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Computed Properties

IUPAC Name:	2-ethylbutanamide
Description:	2-Ethylbutanamide (CAS# 1114-38-1) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CCC(CC)C(=O)N
InChI:	InChI=1S/C6H13NO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChI Key:	QVEMWYGBLHQEAK-UHFFFAOYSA-N
Boiling Point:	245.2 °C at 760 mmHg
Density:	0.894 g/cm³
MDL:	MFCD00025512
LogP:	1.60820

Publication Number	Title	Priority Date
WO-2021122628-A1	Polymer additive comprising zwitterionic moieties for pvdf based membranes	20191219
WO-2021122631-A1	Polymer additive comprising zwitterionic moieties for vinylidene fluoride polymer based membranes	20191219
WO-2021122059-A1	Mass for capturing mercaptans which is prepared using molten salts	20191217
WO-2021126729-A1	Prmt5 inhibitors	20191217
WO-2021117814-A1	Aromatic polyether, aromatic polyether composition, sheet, and method for manufacturing aromatic polyether	20191212

PMID	Publication Date	Title	Journal
19877649	20091126	Synthesis and evaluation of antiallodynic and anticonvulsant activity of novel amide and urea derivatives of valproic acid analogues	Journal of medicinal chemistry
2939242	19860501	A quantitative structure-activity relationship and molecular graphics analysis of hydrophobic effects in the interactions of inhibitors with alcohol dehydrogenase	Journal of medicinal chemistry

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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:	76.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1