2-Cyano-N-ethylacetamide - CAS 15029-36-4

Catalog:	BB010517
Product Name:	2-Cyano-N-ethylacetamide
CAS:	15029-36-4
Synonyms:	2-cyano-N-ethylacetamide; 2-cyano-N-ethylacetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	2-cyano-N-ethylacetamide
Description:	2-Cyano-N-ethylacetamide (CAS# 15029-36-4) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CCNC(=O)CC#N
InChI:	InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6/h2-3H2,1H3,(H,7,8)
InChI Key:	VARXTXAOJGBDDV-UHFFFAOYSA-N
Boiling Point:	320.8 °C at 760 mmHg
Density:	1.015 g/cm³
MDL:	MFCD00118415
LogP:	0.42708

Publication Number	Title	Priority Date
JP-2020180176-A	Isoindoline compounds and their uses	20190423
WO-2020218262-A1	Coloring composition containing isoindoline compound and use of same	20190422
EP-3901139-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
JP-2021050202-A	Molecules with pesticidal activity, their intermediates, compositions and methods	20161012
JP-6808827-B2	Molecules with pesticidal activity, their intermediates, compositions and methods	20161012

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2