2-Cyano-N-(2-methoxyethyl)acetamide - CAS 15029-44-4

Catalog:	BB010518
Product Name:	2-Cyano-N-(2-methoxyethyl)acetamide
CAS:	15029-44-4
Synonyms:	2-cyano-N-(2-methoxyethyl)acetamide; 2-cyano-N-(2-methoxyethyl)acetamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-cyano-N-(2-methoxyethyl)acetamide
Description:	2-Cyano-N-(2-methoxyethyl)acetamide (CAS# 15029-44-4) is a useful research chemical.
Molecular Weight:	142.16
Molecular Formula:	C6H10N2O2
Canonical SMILES:	COCCNC(=O)CC#N
InChI:	InChI=1S/C6H10N2O2/c1-10-5-4-8-6(9)2-3-7/h2,4-5H2,1H3,(H,8,9)
InChI Key:	ADWODNNWVUWKOM-UHFFFAOYSA-N
Boiling Point:	346.3 °C at 760 mmHg
Density:	1.066 g/cm³
LogP:	0.05358

Publication Number	Title	Priority Date
WO-2020249821-A1	Novel arginase inhibitors	20190614
EP-3489324-A1	Fluorescent probe and preparation method and use thereof	20160720
US-2019241584-A1	Fluorescent dye and preparation method and use thereof	20160720
US-2008031848-A1	Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds	20060522
EP-1537081-A1	Dihydropyridine derivatives for use as human neutrophil elastase inhibitors	20020827

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.074227566
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7