Name: 4-(AZETIDIN-3-YL)MORPHOLINE HYDROCHLORIDE
SKU: 223381-71-3

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Basic Information

Molecular Structure:
CAS No.:	223381-71-3
Name:	4-(AZETIDIN-3-YL)MORPHOLINE HYDROCHLORIDE

Formula:	C₇H₁₄N₂O^.ClH
Molecular Weight:	178.661
Synonyms:	Morpholine,4-(3-azetidinyl)-, monohydrochloride (9CI);4-(Azetidin-3-yl)morpholinemonohydrochloride;4-(azetidin-3-yl)morpholine hydrochloride;
Boiling Point:	265.3 °C at 760 mmHg
Flash Point:	114.2 °C
PSA:	24.50000
LogP:	0.35910

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Specification

The Morpholine,4-(3-azetidinyl)-, hydrochloride (1:1), with CAS registry number 223381-71-3, has the systematic name of 4-(azetidin-3-yl)morpholine hydrochloride (1:1). Besides this, it is also called 4-(Azetidin-3-yl)morpholinemonohydrochloride. And the chemical formula of this chemical is C₇H₁₄N₂O^.ClH.

Physical properties of Morpholine,4-(3-azetidinyl)-, hydrochloride (1:1): (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 24.5 Å²; (10)Flash Point: 114.2 °C; (11)Enthalpy of Vaporization: 51.33 kJ/mol; (12)Boiling Point: 265.3 °C at 760 mmHg; (13)Vapour Pressure: 0.00723 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N1CC(C1)N2CCOCC2
(2)InChI: InChI=1/C7H14N2O.ClH/c1-3-10-4-2-9(1)7-5-8-6-7;/h7-8H,1-6H2;1H
(3)InChIKey: AEGZLYNAJWQQTO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H14N2O.ClH/c1-3-10-4-2-9(1)7-5-8-6-7;/h7-8H,1-6H2;1H
(5)Std. InChIKey: AEGZLYNAJWQQTO-UHFFFAOYSA-N