N-Isobutylpropionamide - CAS 5827-75-8

Catalog:	BB029996
Product Name:	N-Isobutylpropionamide
CAS:	5827-75-8
Synonyms:	N-(2-methylpropyl)propanamide; N-(2-methylpropyl)propanamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(2-methylpropyl)propanamide
Description:	N-Isobutylpropionamide (CAS# 5827-75-8 ) is a useful research chemical.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CCC(=O)NCC(C)C
InChI:	InChI=1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChI Key:	QTVUDNOFBZLOHM-UHFFFAOYSA-N
Boiling Point:	217.1 °C at 760 mmHg
Density:	0.859 g/cm³
LogP:	1.55950

Publication Number	Title	Priority Date
US-2020343451-A1	Organic semiconductor element, organic semiconductor composition, organic semiconductor film, method of manufacturing organic semiconductor film, and polymer using the same	20180123
US-11011706-B2	Organic semiconductor element, organic semiconductor composition, organic semiconductor film, method of manufacturing organic semiconductor film, and polymer using the same	20180123
US-2017174699-A1	Compounds for the treatment of cancer and inflammatory disease	20151222
US-2017008890-A1	Substituted 4-azaindoles and their use as glun2b receptor modulators	20150709
US-2016333024-A1	Oxabicycloheptane prodrugs	20150515

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Complexity:	88.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3