1-(3-Azetidinyl)imidazole Dihydrochloride - CAS 153836-44-3

Catalog:	BB010942
Product Name:	1-(3-Azetidinyl)imidazole Dihydrochloride
CAS:	153836-44-3
Synonyms:	1-(3-azetidinyl)imidazole;hydrochloride; 1-(azetidin-3-yl)imidazole;hydrochloride

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Computed Properties

IUPAC Name:	1-(azetidin-3-yl)imidazole;hydrochloride
Description:	1-(3-Azetidinyl)imidazole Dihydrochloride (CAS# 153836-44-3) is a useful research chemical.
Molecular Weight:	196.08
Molecular Formula:	C6H11Cl2N3
Canonical SMILES:	C1C(CN1)N2C=CN=C2.Cl
InChI:	InChI=1S/C6H9N3.ClH/c1-2-9(5-7-1)6-3-8-4-6;/h1-2,5-6,8H,3-4H2;1H
InChI Key:	LOXVISDLNHWOKO-UHFFFAOYSA-N
LogP:	1.15820

Publication Number	Title	Priority Date
AU-2018238079-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324
EP-3604305-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324
JP-WO2018174266-A1	Novel pyridonecarboxylic acid derivative or salt thereof	20170324
US-2020062752-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324
WO-2018174266-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324

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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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0563250
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	159.0563250
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0