Methyl Carbamate - CAS 598-55-0

Name: Methyl Carbamate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	methyl carbamate
Description:	N-substituted allylic and N-substituted propargylic amines were prepared via bismuth-catalyzed substitution of allylic or propargylic alcohols with Methyl Carbamate.
Molecular Weight:	75.07
Molecular Formula:	C2H5NO2
Canonical SMILES:	COC(=O)N
InChI:	InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
InChI Key:	GTCAXTIRRLKXRU-UHFFFAOYSA-N
Boiling Point:	176-177 °C
Melting Point:	54-58 °C
Purity:	95 %
Density:	1.14 g/cm³
Appearance:	White crystaline
Storage:	Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits toxic fumes of nox
LogP:	0.41180
Stability:	Freely sublimes even at room temperature
Vapor Pressure:	0.56 [mmHg]

GHS Hazard Statement:	H315 (76.19%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2019208238-A1	Therapeutic Modifiers of the Reverse Mode of ATP Synthase	20190726
CA-3050553-A1	Therapeutic modifiers of the reverse mode of atp synthase	20190725
CN-108929285-A	The preparation method of Na+ molecular fluorescence intermediate and Na+ molecular fluorescence sensor	20180816
CN-108587605-A	Fe3+Molecular fluorescence compound and preparation method thereof	20180425
CN-108587605-B	Fe3+Molecular fluorescence compound and preparation method thereof	20180425

PMID	Publication Date	Title	Journal
30661753	20190124	Environmental Control of Astrocyte Pathogenic Activities in CNS Inflammation	Cell
29110037	20180201	A novel, integrated in vitro carcinogenicity test to identify genotoxic and non-genotoxic carcinogens using human lymphoblastoid cells	Archives of toxicology
22738634	20120715	Re-engineering aryl methylcarbamates to confer high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase	Bioorganic & medicinal chemistry letters
22504853	20120701	Seasonal exposure of fish to neurotoxic pesticides in an intensive agricultural catchment, Uma-oya, Sri Lanka: linking contamination and acetylcholinesterase inhibition	Environmental toxicology and chemistry
22470298	20120201	Cumulative risk assessment: an overview of methodological approaches for evaluating combined health effects from exposure to multiple environmental stressors	International journal of environmental research and public health

Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	75.032028402
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	75.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7