The 1-Pyrrolidineethanol, a-[(2-methylpropoxy)methyl]-, with the CAS registry number 49571-03-1, is also known as 1-Isobutoxy-3-(1-pyrrolidinyl)-2-propanol. Its EINECS registry number is 256-383-1. This chemical's molecular formula is C11H23NO2 and molecular weight is 201.31. What's more, its IUPAC name is called 1-(2-Methylpropoxy)-3-pyrrolidin-1-ylpropan-2-ol.
Physical properties about 1-Pyrrolidineethanol, a-[(2-methylpropoxy)methyl]- are: (1)ACD/LogP: 1.471; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.59; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.7 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 57.702 cm3; (15)Molar Volume: 204.506 cm3; (16)Polarizability: 22.875×10-24cm3; (17)Surface Tension: 35.919 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 132.227 °C; (20)Enthalpy of Vaporization: 62.034 kJ/mol; (21)Boiling Point: 295.025 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(COCC(C)C)CN1CCCC1
(2) InChI: InChI=1S/C11H23NO2/c1-10(2)8-14-9-11(13)7-12-5-3-4-6-12/h10-11,13H,3-9H2,1-2H3
(3) InChIKey: ZZUOXVBESBSCPQ-UHFFFAOYSA-N
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