1-Benzylazetidin-3-ol - CAS 54881-13-9

Catalog:	BB028844
Product Name:	1-Benzylazetidin-3-ol
CAS:	54881-13-9
Synonyms:	1-(phenylmethyl)-3-azetidinol; 1-benzylazetidin-3-ol

Technical Data

Patents

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Computed Properties

IUPAC Name:	1-benzylazetidin-3-ol
Description:	1-Benzylazetidin-3-ol (CAS# 54881-13-9) is a useful research chemical.
Molecular Weight:	163.22
Molecular Formula:	C10H13NO
Canonical SMILES:	C1C(CN1CC2=CC=CC=C2)O
InChI:	InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChI Key:	JOXQHYFVXZZGQZ-UHFFFAOYSA-N
Boiling Point:	259.2 °C at 760 mmHg
Density:	1.188 g/cm³
Appearance:	White solid
MDL:	MFCD00963607
LogP:	0.80100

Publication Number	Title	Priority Date
WO-2020228756-A1	Inhibitor containing bicyclic derivative, preparation method therefor and use thereof	20190514
WO-2020215094-A1	Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof	20190418
WO-2020184670-A1	Method for introducing deuterated lower alkyl into amine moiety of compound containing secondary amine	20190313
CN-109053524-A	A kind of preparation method of N-Boc-3- hydroxy azetidine	20180911
TW-201940475-A	Method and intermediate for preparing JAK inhibitor	20180130

PMID	Publication Date	Title	Journal
17015978	20061001	A practical and facile synthesis of azetidine derivatives for oral carbapenem, L-084	Chemical & pharmaceutical bulletin

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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.099714038
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9