2-Chloro-N-ethylacetamide - CAS 105-35-1

Catalog:	BB001614
Product Name:	2-Chloro-N-ethylacetamide
CAS:	105-35-1
Synonyms:	2-chloro-N-ethylacetamide; 2-chloro-N-ethylacetamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-N-ethylacetamide
Description:	2-Chloro-N-ethylacetamide (CAS# 105-35-1) is a useful research chemical.
Molecular Weight:	121.57
Molecular Formula:	C4H8ClNO
Canonical SMILES:	CCNC(=O)CCl
InChI:	InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
InChI Key:	JUBORNFANZZVJL-UHFFFAOYSA-N
Boiling Point:	255.9 °C at 760 mmHg
Density:	1.086 g/cm³
LogP:	0.75220

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021040519-A1	Inhibition of mycobacterial type vii secretion	20190826
WO-2020249792-A1	Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators	20190614
US-2021017168-A1	Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators	20190614
US-2020338073-A1	Pyrimidine jak inhibitors for the treatment of skin diseases	20190424

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.0294416
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	121.0294416
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5