1-Boc-3-(2-hydroxyethyl)azetidine - CAS 152537-03-6

Catalog:	BB010792
Product Name:	1-Boc-3-(2-hydroxyethyl)azetidine
CAS:	152537-03-6
Synonyms:	3-(2-hydroxyethyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
Description:	1-Boc-3-(2-hydroxyethyl)azetidine (CAS# 152537-03-6) is a useful research chemical.
Molecular Weight:	201.26
Molecular Formula:	C10H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)CCO
InChI:	InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-8(7-11)4-5-12/h8,12H,4-7H2,1-3H3
InChI Key:	PIEFOIGZJZFQQJ-UHFFFAOYSA-N
MDL:	MFCD17015912
LogP:	1.17200

Publication Number	Title	Priority Date
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
US-2021188844-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021108803-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021094830-A2	Nitrogen oxide-donating pde-5 and/or pde-6 inhibitor compounds	20191111

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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:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.13649347
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.13649347
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8