Ethyl 2-Amidinoacetate Hydrochloride - CAS 57508-48-2

Catalog:	BB029728
Product Name:	Ethyl 2-Amidinoacetate Hydrochloride
CAS:	57508-48-2
Synonyms:	3-amino-3-iminopropanoic acid ethyl ester;hydrochloride; ethyl 3-amino-3-iminopropanoate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-amino-3-iminopropanoate;hydrochloride
Description:	Ethyl 2-Amidinoacetate Hydrochloride (CAS# 57508-48-2) is a useful research chemical.
Molecular Weight:	166.61
Molecular Formula:	C5H11ClN2O2
Canonical SMILES:	CCOC(=O)CC(=N)N.Cl
InChI:	InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H3,6,7);1H
InChI Key:	VOHFLYOSVGWQOS-UHFFFAOYSA-N
Boiling Point:	237.9 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD06797615
LogP:	1.47760

Publication Number	Title	Priority Date
CN-110627701-A	Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester	20191125
CN-110627701-B	Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester	20191125
WO-2021103257-A1	Continuous preparation method for 2-amino-pyrrole-3-carboxylate	20191125
US-2020123170-A1	Compositions and methods for inhibiting viral infection	20181022
WO-2020086562-A1	Compositions and methods for inhibiting viral infection	20181022

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0509053
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	166.0509053
Rotatable Bond Count:	4
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0