4-(1-Imidazolyl)butanoic Acid - CAS 72338-58-0

Catalog:	BB034605
Product Name:	4-(1-Imidazolyl)butanoic Acid
CAS:	72338-58-0
Synonyms:	4-(1-imidazolyl)butanoic acid; 4-imidazol-1-ylbutanoic acid

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Computed Properties

IUPAC Name:	4-imidazol-1-ylbutanoic acid
Description:	4-(1-Imidazolyl)butanoic Acid (CAS# 72338-58-0) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	C1=CN(C=N1)CCCC(=O)O
InChI:	InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)
InChI Key:	ZCWMZLARYIDEEZ-UHFFFAOYSA-N
Boiling Point:	406 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD01721735
LogP:	0.74790

Publication Number	Title	Priority Date
WO-2020019786-A1	Method for preparing biosensing film, biosensing film and monitoring device	20180727
AU-2015316611-A1	Imidazo[4,5-c]pyridine derived SSAO inhibitors	20140917
AU-2015316611-B2	Imidazo[4,5-c]pyridine derived SSAO inhibitors	20140917
CA-2961424-A1	Imidazo[4,5-c]pyridine derived ssao inhibitors	20140917
EP-3194389-A1	Imidazo[4,5-c]pyridine derived ssao inhibitors	20140917

PMID	Publication Date	Title	Journal
21353350	20110501	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors	European journal of medicinal chemistry

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2