3-(Aminomethyl)-1-Boc-3-hydroxyazetidine - CAS 1008526-71-3

Catalog:	BB000364
Product Name:	3-(Aminomethyl)-1-Boc-3-hydroxyazetidine
CAS:	1008526-71-3
Synonyms:	3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate
Description:	3-(Aminomethyl)-1-Boc-3-hydroxyazetidine (CAS# 1008526-71-3) is a useful research chemical.
Molecular Weight:	202.25
Molecular Formula:	C9H18N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)(CN)O
InChI:	InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,4-6,10H2,1-3H3
InChI Key:	NVEHYSKQUSAZBP-UHFFFAOYSA-N
LogP:	0.56510

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
CN-113149977-A	Synthesis and application of respiratory syncytial virus inhibitor	20200122
WO-2021147947-A1	Synthesis and use of class of respiratory syncytial virus inhibitors	20200122
US-2020392154-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
US-2020392155-A1	Pyrazine carbamates and their use as glun2b receptor modulators	20190614

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.13174244
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.13174244
Rotatable Bond Count:	3
Topological Polar Surface Area:	75.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9