Methyl 5-Aminoimidazole-4-carboxylate - CAS 4919-00-0

Catalog:	BB026650
Product Name:	Methyl 5-Aminoimidazole-4-carboxylate
CAS:	4919-00-0
Synonyms:	4-amino-1H-imidazole-5-carboxylic acid methyl ester; methyl 4-amino-1H-imidazole-5-carboxylate

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Computed Properties

IUPAC Name:	methyl 4-amino-1H-imidazole-5-carboxylate
Description:	Methyl 5-Aminoimidazole-4-carboxylate (CAS# 4919-00-0) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	COC(=O)C1=C(N=CN1)N
InChI:	InChI=1S/C5H7N3O2/c1-10-5(9)3-4(6)8-2-7-3/h2H,6H2,1H3,(H,7,8)
InChI Key:	DESDXDWZSJRLDB-UHFFFAOYSA-N
Boiling Point:	397 °C at 760 mmHg
Density:	1.395 g/cm³
LogP:	0.35970

Publication Number	Title	Priority Date
WO-2021158634-A1	Irak degraders and uses thereof	20200203
WO-2020264499-A1	Irak degraders and uses thereof	20190628
WO-2020085493-A1	Novel indazole compound or salt thereof	20181026
WO-2020085504-A1	Method for producing chloroazole carboxylate derivative using sandmeyer reaction with light irradiation	20181026
TW-202029960-A	Novel indazole compound or its salt	20181026

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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:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	81 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5