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13156-06-4

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Basic Information
CAS No.: 13156-06-4
Name: 1-(1-Methylethyl)azetidin-3-ol
Article Data: 5
Molecular Structure:
Molecular Structure of 13156-06-4 (1-(1-Methylethyl)azetidin-3-ol)
Formula: C6H13NO
Molecular Weight: 115.10
Synonyms: 1-(Propan-2-yl)azetidin-3-ol;3-Azetidinol, 1-(1-methylethyl)-;3-Azetidinol, 1-isopropyl-;
Density: 1.036 g/cm3
Boiling Point: 155.1 °C at 760 mmHg
Flash Point: 42.6 °C
PSA: 23.47000
LogP: 0.00920
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Specification

The 1-(1-Methylethyl)azetidin-3-ol, with the CAS registry number 13156-06-4, is also known as 3-Azetidinol, 1-(1-methylethyl)-. This chemical's molecular formula is C6H13NO and molecular weight is 115.10. What's more, its systematic name is 1-(propan-2-yl)azetidin-3-ol. 

Physical properties of 1-(1-Methylethyl)azetidin-3-ol are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.8; (4)ACD/LogD (pH 7.4): -1.69; (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: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 32.85 cm3; (15)Molar Volume: 111.1 cm3; (16)Polarizability: 13.02×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.036 g/cm3; (19)Flash Point: 42.6 °C; (20)Enthalpy of Vaporization: 45.64 kJ/mol; (21)Boiling Point: 155.1 °C at 760 mmHg; (22)Vapour Pressure: 1.12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CN(C(C)C)C1
(2)InChI: InChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
(3)InChIKey: XSGMJDQRZDWEPW-UHFFFAOYSA-N