Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate - CAS 177760-04-2

Catalog:	BB013332
Product Name:	Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
CAS:	177760-04-2
Synonyms:	2-amino-3-methyl-4-imidazolecarboxylic acid ethyl ester; ethyl 2-amino-3-methylimidazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-amino-3-methylimidazole-4-carboxylate
Description:	Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate (CAS# 177760-04-2) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C7H11N3O2
Canonical SMILES:	CCOC(=O)C1=CN=C(N1C)N
InChI:	InChI=1S/C7H11N3O2/c1-3-12-6(11)5-4-9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9)
InChI Key:	CXSLXRSUUJLZBT-UHFFFAOYSA-N
Appearance:	Orange powder
LogP:	0.10910

Publication Number	Title	Priority Date
CN-110872339-A	Linker containing aromatic nitro group, antibody conjugate drug containing linker and application of linker	20180830
WO-2020043129-A1	Linker containing arylnitro, antibody-drug conjugate containing linker and use of linker	20180830
CN-112601556-A	Linker containing aromatic nitro group, antibody conjugate drug containing linker and application of linker	20180830
EP-3845251-A1	Linker containing arylnitro, antibody-drug conjugate containing linker and use of linker	20180830
KR-20210053934-A	Use of linkers containing arylnitro, antibody-drug conjugates containing linkers and linkers	20180830

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Related Functional Groups

Imidazoles

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3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
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ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
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Ethyl 1-propyl-1H-imidazole-2-carboxylate
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Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
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1-(4-Ethoxyphenyl)-3-ethyl-2-thioxoimidazolidin-4-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.085126602
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.085126602
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2