ethyl 1-benzylazetidine-2-carboxylate - CAS 54773-11-4

Catalog:	BB028815
Product Name:	ethyl 1-benzylazetidine-2-carboxylate
CAS:	54773-11-4
Synonyms:	1-(phenylmethyl)-2-azetidinecarboxylic acid ethyl ester; ethyl 1-benzylazetidine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-benzylazetidine-2-carboxylate
Description:	ethyl 1-benzylazetidine-2-carboxylate (CAS# 54773-11-4) is a useful research chemical compound.
Molecular Weight:	219.284
Molecular Formula:	C13H17NO2
Canonical SMILES:	CCOC(=O)C1CCN1CC2=CC=CC=C2
InChI:	InChI=1S/C13H17NO2/c1-2-16-13(15)12-8-9-14(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key:	MDWJXMWPDZPGEC-UHFFFAOYSA-N
Boiling Point:	290.141 °C at 760 mmHg
Density:	1.127 g/cm³
MDL:	MFCD17215354
LogP:	1.76190

Publication Number	Title	Priority Date
AU-2007338953-A1	Azetidine analogues of nucleosidase and phosphorylase inhibitors	20061222
CA-2674525-A1	Azetidine analogues of nucleosidase and phosphorylase inhibitors	20061222
EP-2114925-A1	Azetidine analogues of nucleosidase and phosphorylase inhibitors	20061222
EP-2114925-B1	Azetidine analogues of nucleosidase and phosphorylase inhibitors	20061222
EP-2114925-B8	Azetidine analogues of nucleosidase and phosphorylase inhibitors	20061222

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.125928785
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2