3-(1-Imidazolyl)propanoic Acid - CAS 18999-45-6

Catalog:	BB014688
Product Name:	3-(1-Imidazolyl)propanoic Acid
CAS:	18999-45-6
Synonyms:	3-(1-imidazolyl)propanoic acid; 3-imidazol-1-ylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-imidazol-1-ylpropanoic acid
Description:	3-(1-Imidazolyl)propanoic Acid (CAS# 18999-45-6) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	C1=CN(C=N1)CCC(=O)O
InChI:	InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
InChI Key:	VSFNAZLYGOOSEY-UHFFFAOYSA-N
Boiling Point:	390.9 °C at 760 mmHg
Density:	1.26 g/cm³
Appearance:	Solid
MDL:	MFCD02731119
LogP:	0.35780

Publication Number	Title	Priority Date
JP-2020125466-A	Polyimide alloy, polyimide alloy precursor resin composition, polyimide alloy precursor resin solution, and method for producing polyimide alloy	20190131
WO-2020025517-A1	Tlr7/8 antagonists and uses thereof	20180731
TW-202019899-A	TLR7/8 antagonists and their uses	20180731
CN-112513024-A	TLR7/8 antagonists and uses thereof	20180731
EP-3830080-A1	Tlr7/8 antagonists and uses thereof	20180731

PMID	Publication Date	Title	Journal
21353350	20110501	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors	European journal of medicinal chemistry
11312922	20010412	Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent	Journal of medicinal chemistry

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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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6