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CAS No.: | 111043-48-2 |
---|---|
Name: | 1-Methyl-3-azetidinol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4H9NO |
Molecular Weight: | 87.1216 |
Synonyms: | 3-Hydroxy-1-methylazetidine; |
Density: | 1.103 g/cm3 |
Boiling Point: | 116.345 °C at 760 mmHg |
Flash Point: | 50.746 °C |
PSA: | 23.47000 |
LogP: | 0.03260 |
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The 1-Methyl-3-azetidinol, with the CAS registry number of 111043-48-2, is also known as 3-Hydroxy-1-methylazetidine. This chemical's molecular formula is C4H9NO and molecular weight is 87.1204. What's more, its systematic name is called 1-Methylazetidin-3-ol.
Physical properties about 1-Methyl-3-azetidinol are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -2; (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: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 23.7 cm3; (15)Molar Volume: 79.019 cm3; (16)Surface Tension: 42.567 dyne/cm; (17)Density: 1.103 g/cm3; (18)Flash Point: 50.746 °C; (19)Enthalpy of Vaporization: 41.338 kJ/mol; (20)Boiling Point: 116.345 °C at 760 mmHg; (21)Vapour Pressure: 9.147 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1CN(C)C1
(2) InChI: InChI=1/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3
(3) InChIKey: IJVQAJHYYRVZNE-UHFFFAOYAR