Ethyl azidoacetate solution - CAS 637-81-0

Catalog:	BB032271
Product Name:	Ethyl azidoacetate solution
CAS:	637-81-0
Synonyms:	ethyl 2-azidoacetate

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Computed Properties

IUPAC Name:	ethyl 2-azidoacetate
Description:	Ethyl azidoacetate solution (CAS# 637-81-0) is a useful research chemical.
Molecular Weight:	129.12
Molecular Formula:	C4H7N3O2
Canonical SMILES:	CCOC(=O)CN=[N+]=[N-]
InChI:	InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
InChI Key:	HVJJYOAPXBPQQV-UHFFFAOYSA-N
Boiling Point:	44-46 °C 2 mmHg
Purity:	98.0 % (GC)
Density:	1.24 g/cm³
Appearance:	Colorless or light yellow liquid
MDL:	MFCD00190177
LogP:	0.31256

Publication Number	Title	Priority Date
CN-113024440-A	Method for continuously synthesizing substituted indole-2-carboxylic acid	20210317
WO-2021202480-A1	Compounds targeting prmt5	20200401
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
CN-112574230-A	Peptidyl arginine deiminase inhibitors and uses thereof	20190927
WO-2021057910-A1	Peptidylarginine deiminase inhibitor and use thereof	20190927

PMID	Publication Date	Title	Journal
21589193	20101031	Ethyl {4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1,2,3-triazol-1-yl}acetate	Acta crystallographica. Section E, Structure reports online
20479983	20100421	Synthesis of the marine pyrroloiminoquinone alkaloids, discorhabdins	Marine drugs
21580016	20091212	Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H226 (95%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.053826475
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	129.053826475
Rotatable Bond Count:	4
Topological Polar Surface Area:	40.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6