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tert-Butyl Azetidine-3-carboxylate Hydrochloride

tert-Butyl Azetidine-3-carboxylate Hydrochloride - CAS 53871-08-2

Catalog:	BB028380
Product Name:	tert-Butyl Azetidine-3-carboxylate Hydrochloride
CAS:	53871-08-2
Synonyms:	3-azetidinecarboxylic acid tert-butyl ester;hydrochloride; tert-butyl azetidine-3-carboxylate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl azetidine-3-carboxylate;hydrochloride
Description:	tert-Butyl Azetidine-3-carboxylate Hydrochloride (CAS# 53871-08-2) is a useful research chemical.
Molecular Weight:	193.67
Molecular Formula:	C8H16ClNO2
Canonical SMILES:	CC(C)(C)OC(=O)C1CNC1.Cl
InChI:	InChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-9-5-6;/h6,9H,4-5H2,1-3H3;1H
InChI Key:	JROLDIFBZMRPMP-UHFFFAOYSA-N
LogP:	1.67830

Publication Number	Title	Priority Date
WO-2021148420-A1	Novel heterocyclic compounds	20200122
CN-112279848-A	Pan-JAKs inhibitor and application thereof	20190725
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
KR-20200061346-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
WO-2019046784-A1	COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE	20170831

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0869564
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.0869564
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0