CAS No.45347-82-8,3-AZETIDINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45347-82-8
Name:	3-AZETIDINOL
Article Data:	24

Formula:	C₃H₇NO
Molecular Weight:	73.0947
Synonyms:	3-Azetidinol;
Density:	1.142 g/cm³
Boiling Point:	170.7 °C at 760 mmHg
Flash Point:	120.4 °C
PSA:	32.26000
LogP:	-0.72070

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Specification

The systematic name of 3-Azetidinol is azetidin-3-ol. With the CAS registry number 45347-82-8, it is also named as 3-Hydroxyazetidine. In addition, its molecular formula is C₃H₇NO and molecular weight is 73.09.

The other characteristics of 3-Azetidinol can be summarized as: (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.37; (4)ACD/LogD (pH 7.4): -3.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 18.77 cm³; (15)Molar Volume: 63.9 cm³; (16)Polarizability: 7.44×10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.142 g/cm³; (19)Flash Point: 120.4 °C; (20)Enthalpy of Vaporization: 47.4 kJ/mol; (21)Boiling Point: 170.7 °C at 760 mmHg; (22)Vapour Pressure: 0.464 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OC1CNC1
(2)InChI: InChI=1/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
(3)InChIKey: GMWFCJXSQQHBPI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
(5)Std. InChIKey: GMWFCJXSQQHBPI-UHFFFAOYSA-N