Ethyl 5-Aminoimidazole-4-carboxylate - CAS 21190-16-9

Catalog:	BB016673
Product Name:	Ethyl 5-Aminoimidazole-4-carboxylate
CAS:	21190-16-9
Synonyms:	4-amino-1H-imidazole-5-carboxylic acid ethyl ester; ethyl 4-amino-1H-imidazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-amino-1H-imidazole-5-carboxylate
Description:	Ethyl 5-Aminoimidazole-4-carboxylate (CAS# 21190-16-9) is a useful research chemical.
Molecular Weight:	155.15
Molecular Formula:	C6H9N3O2
Canonical SMILES:	CCOC(=O)C1=C(N=CN1)N
InChI:	InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
InChI Key:	NJMORFFDAXJHHM-UHFFFAOYSA-N
Boiling Point:	391.2 °C at 760 mmHg
Density:	1.318 g/cm³
MDL:	MFCD06858453
LogP:	0.74980

Publication Number	Title	Priority Date
CN-112174890-A	Ketone-substituted heterocyclic compounds and their anesthetic action	20201009
WO-2021068943-A1	Substituted nitrogen heterocyclic compound and anesthetic effect thereof	20191011
WO-2020219729-A1	Papd5 inhibitors and methods of use thereof	20190424
CN-109761906-A	A kind of substituted imidazole formate ester derivative and application thereof	20190302
WO-2020085504-A1	Method for producing chloroazole carboxylate derivative using sandmeyer reaction with light irradiation	20181026

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.069476538
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	155.069476538
Rotatable Bond Count:	3
Topological Polar Surface Area:	81 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4