Azetidine, 3-Ethoxy-, Hydrochloride (1:1)

CAS: 535924-73-3 | C5H12ClNO

2D Structure

Loading 3D structure...

CAS Registry Number

535924-73-3

SMILES

CCOC1CNC1.Cl

InChI Key

FZVFBLJKNJAJNI-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	137.61 g/mol	CAS Common Chemistry
	137.61000000000004 g/mol	RDKit
	137.607 g/mol	chempirical lib
Canonical SMILES	Cl.O(CC)C1CNC1	CAS Common Chemistry
InChI	InChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H	CAS Common Chemistry
InChI Key	InChIKey=FZVFBLJKNJAJNI-UHFFFAOYSA-N	CAS Common Chemistry
Name	Azetidine, 3-ethoxy-, hydrochloride (1:1)	CAS Common Chemistry
Heavy Atom Count	8	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	21.259999999999998 Å²	RDKit
	21.26 Å²	RDKit
LogP	0.4164999999999999	RDKit
	0.4165	RDKit
Molar Refractivity	35.531699999999994 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	137.060741684 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C5H12ClNO.