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CAS No.: | 131180-57-9 |
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Name: | (S)-ALPHA,ALPHA-BIS(4-METHOXYPHENYL)-2-PYRROLIDINEMETHANOL |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H23NO3 |
Molecular Weight: | 313.397 |
Synonyms: | 2-Pyrrolidinemethanol,a,a-bis(4-methoxyphenyl)-, (S)-; |
Density: | 1.15g/cm3 |
Boiling Point: | 482.492 °C at 760 mmHg |
Flash Point: | 245.602 °C |
PSA: | 50.72000 |
LogP: | 3.02050 |
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The 2-Pyrrolidinemethanol, a,a-bis(4-methoxyphenyl)-, (2S)-, with CAS registry number 131180-57-9, has the systematic name of bis(4-methoxyphenyl)(pyrrolidin-2-yl)methanol. Besides this, it is also called (S)-Alpha,alpha-bis(4-methoxyphenyl)-2-pyrrolidinemethanol. And the chemical formula of this chemical is C19H23NO3.
Physical properties of 2-Pyrrolidinemethanol, a,a-bis(4-methoxyphenyl)-, (2S)-: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.72 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 89.824 cm3; (15)Molar Volume: 272.509 cm3; (16)Polarizability: 35.609×10-24cm3; (17)Surface Tension: 43.599 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 245.602 °C; (20)Enthalpy of Vaporization: 78.726 kJ/mol; (21)Boiling Point: 482.492 °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(c1ccc(OC)cc1)(C2CCCN2)c3ccc(OC)cc3
(2)InChI: InChI=1/C19H23NO3/c1-22-16-9-5-14(6-10-16)19(21,18-4-3-13-20-18)15-7-11-17(23-2)12-8-15/h5-12,18,20-21H,3-4,13H2,1-2H3
(3)InChIKey: DIHSOOPDCJLLHA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C19H23NO3/c1-22-16-9-5-14(6-10-16)19(21,18-4-3-13-20-18)15-7-11-17(23-2)12-8-15/h5-12,18,20-21H,3-4,13H2,1-2H3
(5)Std. InChIKey: DIHSOOPDCJLLHA-UHFFFAOYSA-N