1-Boc-3-hydroxy-3-methylazetidine - CAS 1104083-23-9

Catalog:	BB002624
Product Name:	1-Boc-3-hydroxy-3-methylazetidine
CAS:	1104083-23-9
Synonyms:	3-hydroxy-3-methyl-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
Description:	1-Boc-3-hydroxy-3-methylazetidine (CAS# 1104083-23-9) is a useful research chemical.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC1(CN(C1)C(=O)OC(C)(C)C)O
InChI:	InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3
InChI Key:	DBJZEDYSQQXOOF-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD16037112
LogP:	0.92600

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2020233512-A1	Aromatic amine ar and bet targeting protein degradation chimera compound and use	20190517
US-2020109141-A1	Amino acid compounds and methods of use	20181008
WO-2020076862-A1	Amino acid compounds and methods of use	20181008
TW-202028179-A	Amino acid compounds and methods of use	20181008

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.1208434
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.1208434
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5